HEADER MEMBRANE PROTEIN 19-JUL-24 9CQL TITLE DIMERIC 9C2 GAMMA DELTA TCR BOUND BY FAB 3 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 9C2 TCR DELTA CHAIN; COMPND 3 CHAIN: E, A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 9C2 TCR GAMMA CHAIN; COMPND 7 CHAIN: F, B; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: ANTI TCR VARIABLE DELTA 1 FAB HEAVY CHAIN FAB 3; COMPND 11 CHAIN: J, C; COMPND 12 ENGINEERED: YES; COMPND 13 MOL_ID: 4; COMPND 14 MOLECULE: ANTI TCR VARIABLE DELTA 1 FAB LIGHT CHAIN FAB 3; COMPND 15 CHAIN: K, D; COMPND 16 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 6 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 10 ORGANISM_COMMON: HUMAN; SOURCE 11 ORGANISM_TAXID: 9606; SOURCE 12 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 13 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 14 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 15 MOL_ID: 3; SOURCE 16 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 17 ORGANISM_COMMON: MOUSE; SOURCE 18 ORGANISM_TAXID: 10090; SOURCE 19 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 20 EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER; SOURCE 21 EXPRESSION_SYSTEM_TAXID: 10029; SOURCE 22 MOL_ID: 4; SOURCE 23 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 24 ORGANISM_COMMON: MOUSE; SOURCE 25 ORGANISM_TAXID: 10090; SOURCE 26 EXPRESSION_SYSTEM: CRICETULUS GRISEUS; SOURCE 27 EXPRESSION_SYSTEM_COMMON: CHINESE HAMSTER; SOURCE 28 EXPRESSION_SYSTEM_TAXID: 10029 KEYWDS TCR, CD3, GAMMA DELTA, FAB, OKT3, IMMUNE RECEPTOR, T CELL, MEMBRANE KEYWDS 2 PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR M.HOQUE,K.SAOTOME,M.C.FRANKLIN REVDAT 1 15-JAN-25 9CQL 0 JRNL AUTH M.HOQUE,J.B.GRIGG,T.RAMLALL,J.JONES,L.L.MCGOLDRICK,J.C.LIN, JRNL AUTH 2 W.C.OLSON,E.SMITH,M.C.FRANKLIN,T.ZHANG,K.SAOTOME JRNL TITL STRUCTURAL CHARACTERIZATION OF TWO GAMMA DELTA TCR/CD3 JRNL TITL 2 COMPLEXES. JRNL REF NAT COMMUN V. 16 318 2025 JRNL REFN ESSN 2041-1723 JRNL PMID 39747888 JRNL DOI 10.1038/S41467-024-55467-5 REMARK 2 REMARK 2 RESOLUTION. 3.46 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : PHENIX REMARK 3 RECONSTRUCTION SCHEMA : NULL REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : NULL REMARK 3 REFINEMENT PROTOCOL : NULL REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 3.460 REMARK 3 NUMBER OF PARTICLES : 29351 REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE REMARK 3 CORRECTION REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: NULL REMARK 4 REMARK 4 9CQL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUL-24. REMARK 100 THE DEPOSITION ID IS D_1000286094. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : NULL REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : POINT REMARK 245 NAME OF SAMPLE : G115 GAMMA DELTA TCR/CD3 REMARK 245 COMPLEX BOUND BY OKT3 FAB REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 8.00 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : NULL REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS REMARK 245 DETECTOR TYPE : GATAN K3 BIOQUANTUM (6K X REMARK 245 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 1000.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 2200.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : NULL REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 5000.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : NULL REMARK 245 CALIBRATED MAGNIFICATION : NULL REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: OCTAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, J, K, A, B, C, D, G, H REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA E 4 REMARK 465 VAL E 207 REMARK 465 LYS E 208 REMARK 465 THR E 209 REMARK 465 ASP E 210 REMARK 465 SER E 211 REMARK 465 THR E 212 REMARK 465 ASP E 213 REMARK 465 HIS E 214 REMARK 465 VAL E 215 REMARK 465 LYS E 216 REMARK 465 PRO E 217 REMARK 465 LYS E 218 REMARK 465 GLU E 219 REMARK 465 THR E 220 REMARK 465 GLU E 221 REMARK 465 ASN E 222 REMARK 465 THR E 223 REMARK 465 LYS E 224 REMARK 465 GLN E 225 REMARK 465 PRO E 226 REMARK 465 SER E 227 REMARK 465 LYS E 228 REMARK 465 SER E 229 REMARK 465 CYS E 230 REMARK 465 HIS E 231 REMARK 465 LYS E 232 REMARK 465 PRO E 233 REMARK 465 LYS E 234 REMARK 465 ALA E 235 REMARK 465 ILE E 236 REMARK 465 VAL E 237 REMARK 465 HIS E 238 REMARK 465 THR E 239 REMARK 465 GLU E 240 REMARK 465 LYS E 241 REMARK 465 VAL E 242 REMARK 465 ASN E 243 REMARK 465 MET E 244 REMARK 465 MET E 245 REMARK 465 SER E 246 REMARK 465 LEU E 247 REMARK 465 THR E 248 REMARK 465 VAL E 249 REMARK 465 LEU E 250 REMARK 465 GLY E 251 REMARK 465 LEU E 252 REMARK 465 ARG E 253 REMARK 465 MET E 254 REMARK 465 LEU E 255 REMARK 465 PHE E 256 REMARK 465 ALA E 257 REMARK 465 LYS E 258 REMARK 465 THR E 259 REMARK 465 VAL E 260 REMARK 465 ALA E 261 REMARK 465 VAL E 262 REMARK 465 ASN E 263 REMARK 465 PHE E 264 REMARK 465 LEU E 265 REMARK 465 LEU E 266 REMARK 465 THR E 267 REMARK 465 ALA E 268 REMARK 465 LYS E 269 REMARK 465 LEU E 270 REMARK 465 PHE E 271 REMARK 465 PHE E 272 REMARK 465 LEU E 273 REMARK 465 SER E 274 REMARK 465 ARG E 275 REMARK 465 GLY E 276 REMARK 465 ARG E 277 REMARK 465 ALA E 278 REMARK 465 LYS E 279 REMARK 465 ARG E 280 REMARK 465 GLY E 281 REMARK 465 SER E 282 REMARK 465 GLY E 283 REMARK 465 SER F 4 REMARK 465 SER F 5 REMARK 465 ASN F 6 REMARK 465 LEU F 7 REMARK 465 GLU F 8 REMARK 465 GLY F 9 REMARK 465 ILE F 232 REMARK 465 LYS F 233 REMARK 465 THR F 234 REMARK 465 ASP F 235 REMARK 465 VAL F 236 REMARK 465 ILE F 237 REMARK 465 THR F 238 REMARK 465 MET F 239 REMARK 465 ASP F 240 REMARK 465 PRO F 241 REMARK 465 LYS F 242 REMARK 465 ASP F 243 REMARK 465 ASN F 244 REMARK 465 CYS F 245 REMARK 465 SER F 246 REMARK 465 LYS F 247 REMARK 465 ASP F 248 REMARK 465 ALA F 249 REMARK 465 ASN F 250 REMARK 465 ASP F 251 REMARK 465 THR F 252 REMARK 465 LEU F 253 REMARK 465 LEU F 254 REMARK 465 LEU F 255 REMARK 465 GLN F 256 REMARK 465 LEU F 257 REMARK 465 THR F 258 REMARK 465 ASN F 259 REMARK 465 THR F 260 REMARK 465 SER F 261 REMARK 465 ALA F 262 REMARK 465 TYR F 263 REMARK 465 TYR F 264 REMARK 465 MET F 265 REMARK 465 TYR F 266 REMARK 465 LEU F 267 REMARK 465 LEU F 268 REMARK 465 LEU F 269 REMARK 465 LEU F 270 REMARK 465 LEU F 271 REMARK 465 LYS F 272 REMARK 465 SER F 273 REMARK 465 VAL F 274 REMARK 465 VAL F 275 REMARK 465 TYR F 276 REMARK 465 PHE F 277 REMARK 465 ALA F 278 REMARK 465 ILE F 279 REMARK 465 ILE F 280 REMARK 465 THR F 281 REMARK 465 CYS F 282 REMARK 465 CYS F 283 REMARK 465 LEU F 284 REMARK 465 LEU F 285 REMARK 465 ARG F 286 REMARK 465 ARG F 287 REMARK 465 THR F 288 REMARK 465 ALA F 289 REMARK 465 PHE F 290 REMARK 465 CYS F 291 REMARK 465 CYS F 292 REMARK 465 ASN F 293 REMARK 465 GLY F 294 REMARK 465 GLU F 295 REMARK 465 LYS F 296 REMARK 465 SER F 297 REMARK 465 SER J 120 REMARK 465 ALA J 121 REMARK 465 ALA J 122 REMARK 465 LYS J 123 REMARK 465 THR J 124 REMARK 465 THR J 125 REMARK 465 PRO J 126 REMARK 465 PRO J 127 REMARK 465 SER J 128 REMARK 465 VAL J 129 REMARK 465 TYR J 130 REMARK 465 PRO J 131 REMARK 465 LEU J 132 REMARK 465 ALA J 133 REMARK 465 PRO J 134 REMARK 465 GLY J 135 REMARK 465 SER J 136 REMARK 465 ALA J 137 REMARK 465 ALA J 138 REMARK 465 GLN J 139 REMARK 465 THR J 140 REMARK 465 ASN J 141 REMARK 465 SER J 142 REMARK 465 MET J 143 REMARK 465 VAL J 144 REMARK 465 THR J 145 REMARK 465 LEU J 146 REMARK 465 GLY J 147 REMARK 465 CYS J 148 REMARK 465 LEU J 149 REMARK 465 VAL J 150 REMARK 465 LYS J 151 REMARK 465 GLY J 152 REMARK 465 TYR J 153 REMARK 465 PHE J 154 REMARK 465 PRO J 155 REMARK 465 GLU J 156 REMARK 465 PRO J 157 REMARK 465 VAL J 158 REMARK 465 THR J 159 REMARK 465 VAL J 160 REMARK 465 THR J 161 REMARK 465 TRP J 162 REMARK 465 ASN J 163 REMARK 465 SER J 164 REMARK 465 GLY J 165 REMARK 465 SER J 166 REMARK 465 LEU J 167 REMARK 465 SER J 168 REMARK 465 SER J 169 REMARK 465 GLY J 170 REMARK 465 VAL J 171 REMARK 465 HIS J 172 REMARK 465 THR J 173 REMARK 465 PHE J 174 REMARK 465 PRO J 175 REMARK 465 ALA J 176 REMARK 465 VAL J 177 REMARK 465 LEU J 178 REMARK 465 GLN J 179 REMARK 465 SER J 180 REMARK 465 ASP J 181 REMARK 465 LEU J 182 REMARK 465 TYR J 183 REMARK 465 THR J 184 REMARK 465 LEU J 185 REMARK 465 SER J 186 REMARK 465 SER J 187 REMARK 465 SER J 188 REMARK 465 VAL J 189 REMARK 465 THR J 190 REMARK 465 VAL J 191 REMARK 465 PRO J 192 REMARK 465 SER J 193 REMARK 465 SER J 194 REMARK 465 THR J 195 REMARK 465 TRP J 196 REMARK 465 PRO J 197 REMARK 465 SER J 198 REMARK 465 GLU J 199 REMARK 465 THR J 200 REMARK 465 VAL J 201 REMARK 465 THR J 202 REMARK 465 CYS J 203 REMARK 465 ASN J 204 REMARK 465 VAL J 205 REMARK 465 ALA J 206 REMARK 465 HIS J 207 REMARK 465 PRO J 208 REMARK 465 ALA J 209 REMARK 465 SER J 210 REMARK 465 SER J 211 REMARK 465 THR J 212 REMARK 465 LYS J 213 REMARK 465 VAL J 214 REMARK 465 ASP J 215 REMARK 465 LYS J 216 REMARK 465 LYS J 217 REMARK 465 ILE J 218 REMARK 465 VAL J 219 REMARK 465 PRO J 220 REMARK 465 ARG J 221 REMARK 465 ASP J 222 REMARK 465 CYS J 223 REMARK 465 GLY J 224 REMARK 465 ARG K 113 REMARK 465 ALA K 114 REMARK 465 ASP K 115 REMARK 465 ALA K 116 REMARK 465 ALA K 117 REMARK 465 PRO K 118 REMARK 465 THR K 119 REMARK 465 VAL K 120 REMARK 465 SER K 121 REMARK 465 ILE K 122 REMARK 465 PHE K 123 REMARK 465 PRO K 124 REMARK 465 PRO K 125 REMARK 465 SER K 126 REMARK 465 SER K 127 REMARK 465 GLU K 128 REMARK 465 GLN K 129 REMARK 465 LEU K 130 REMARK 465 THR K 131 REMARK 465 SER K 132 REMARK 465 GLY K 133 REMARK 465 GLY K 134 REMARK 465 ALA K 135 REMARK 465 SER K 136 REMARK 465 VAL K 137 REMARK 465 VAL K 138 REMARK 465 CYS K 139 REMARK 465 PHE K 140 REMARK 465 LEU K 141 REMARK 465 ASN K 142 REMARK 465 ASN K 143 REMARK 465 PHE K 144 REMARK 465 TYR K 145 REMARK 465 PRO K 146 REMARK 465 LYS K 147 REMARK 465 ASP K 148 REMARK 465 ILE K 149 REMARK 465 ASN K 150 REMARK 465 VAL K 151 REMARK 465 LYS K 152 REMARK 465 TRP K 153 REMARK 465 LYS K 154 REMARK 465 ILE K 155 REMARK 465 ASP K 156 REMARK 465 GLY K 157 REMARK 465 SER K 158 REMARK 465 GLU K 159 REMARK 465 ARG K 160 REMARK 465 GLN K 161 REMARK 465 ASN K 162 REMARK 465 GLY K 163 REMARK 465 VAL K 164 REMARK 465 LEU K 165 REMARK 465 ASN K 166 REMARK 465 SER K 167 REMARK 465 TRP K 168 REMARK 465 THR K 169 REMARK 465 ASP K 170 REMARK 465 GLN K 171 REMARK 465 ASP K 172 REMARK 465 SER K 173 REMARK 465 LYS K 174 REMARK 465 ASP K 175 REMARK 465 SER K 176 REMARK 465 THR K 177 REMARK 465 TYR K 178 REMARK 465 SER K 179 REMARK 465 MET K 180 REMARK 465 SER K 181 REMARK 465 SER K 182 REMARK 465 THR K 183 REMARK 465 LEU K 184 REMARK 465 THR K 185 REMARK 465 LEU K 186 REMARK 465 THR K 187 REMARK 465 LYS K 188 REMARK 465 ASP K 189 REMARK 465 GLU K 190 REMARK 465 TYR K 191 REMARK 465 GLU K 192 REMARK 465 ARG K 193 REMARK 465 HIS K 194 REMARK 465 ASN K 195 REMARK 465 SER K 196 REMARK 465 TYR K 197 REMARK 465 THR K 198 REMARK 465 CYS K 199 REMARK 465 GLU K 200 REMARK 465 ALA K 201 REMARK 465 THR K 202 REMARK 465 HIS K 203 REMARK 465 LYS K 204 REMARK 465 THR K 205 REMARK 465 SER K 206 REMARK 465 THR K 207 REMARK 465 SER K 208 REMARK 465 PRO K 209 REMARK 465 ILE K 210 REMARK 465 VAL K 211 REMARK 465 LYS K 212 REMARK 465 SER K 213 REMARK 465 PHE K 214 REMARK 465 ASN K 215 REMARK 465 ARG K 216 REMARK 465 GLY K 217 REMARK 465 GLU K 218 REMARK 465 CYS K 219 REMARK 465 ALA A 4 REMARK 465 VAL A 207 REMARK 465 LYS A 208 REMARK 465 THR A 209 REMARK 465 ASP A 210 REMARK 465 SER A 211 REMARK 465 THR A 212 REMARK 465 ASP A 213 REMARK 465 HIS A 214 REMARK 465 VAL A 215 REMARK 465 LYS A 216 REMARK 465 PRO A 217 REMARK 465 LYS A 218 REMARK 465 GLU A 219 REMARK 465 THR A 220 REMARK 465 GLU A 221 REMARK 465 ASN A 222 REMARK 465 THR A 223 REMARK 465 LYS A 224 REMARK 465 GLN A 225 REMARK 465 PRO A 226 REMARK 465 SER A 227 REMARK 465 LYS A 228 REMARK 465 SER A 229 REMARK 465 CYS A 230 REMARK 465 HIS A 231 REMARK 465 LYS A 232 REMARK 465 PRO A 233 REMARK 465 LYS A 234 REMARK 465 ALA A 235 REMARK 465 ILE A 236 REMARK 465 VAL A 237 REMARK 465 HIS A 238 REMARK 465 THR A 239 REMARK 465 GLU A 240 REMARK 465 LYS A 241 REMARK 465 VAL A 242 REMARK 465 ASN A 243 REMARK 465 MET A 244 REMARK 465 MET A 245 REMARK 465 SER A 246 REMARK 465 LEU A 247 REMARK 465 THR A 248 REMARK 465 VAL A 249 REMARK 465 LEU A 250 REMARK 465 GLY A 251 REMARK 465 LEU A 252 REMARK 465 ARG A 253 REMARK 465 MET A 254 REMARK 465 LEU A 255 REMARK 465 PHE A 256 REMARK 465 ALA A 257 REMARK 465 LYS A 258 REMARK 465 THR A 259 REMARK 465 VAL A 260 REMARK 465 ALA A 261 REMARK 465 VAL A 262 REMARK 465 ASN A 263 REMARK 465 PHE A 264 REMARK 465 LEU A 265 REMARK 465 LEU A 266 REMARK 465 THR A 267 REMARK 465 ALA A 268 REMARK 465 LYS A 269 REMARK 465 LEU A 270 REMARK 465 PHE A 271 REMARK 465 PHE A 272 REMARK 465 LEU A 273 REMARK 465 SER A 274 REMARK 465 ARG A 275 REMARK 465 GLY A 276 REMARK 465 ARG A 277 REMARK 465 ALA A 278 REMARK 465 LYS A 279 REMARK 465 ARG A 280 REMARK 465 GLY A 281 REMARK 465 SER A 282 REMARK 465 GLY A 283 REMARK 465 SER B 4 REMARK 465 SER B 5 REMARK 465 ASN B 6 REMARK 465 LEU B 7 REMARK 465 GLU B 8 REMARK 465 GLY B 9 REMARK 465 ILE B 232 REMARK 465 LYS B 233 REMARK 465 THR B 234 REMARK 465 ASP B 235 REMARK 465 VAL B 236 REMARK 465 ILE B 237 REMARK 465 THR B 238 REMARK 465 MET B 239 REMARK 465 ASP B 240 REMARK 465 PRO B 241 REMARK 465 LYS B 242 REMARK 465 ASP B 243 REMARK 465 ASN B 244 REMARK 465 CYS B 245 REMARK 465 SER B 246 REMARK 465 LYS B 247 REMARK 465 ASP B 248 REMARK 465 ALA B 249 REMARK 465 ASN B 250 REMARK 465 ASP B 251 REMARK 465 THR B 252 REMARK 465 LEU B 253 REMARK 465 LEU B 254 REMARK 465 LEU B 255 REMARK 465 GLN B 256 REMARK 465 LEU B 257 REMARK 465 THR B 258 REMARK 465 ASN B 259 REMARK 465 THR B 260 REMARK 465 SER B 261 REMARK 465 ALA B 262 REMARK 465 TYR B 263 REMARK 465 TYR B 264 REMARK 465 MET B 265 REMARK 465 TYR B 266 REMARK 465 LEU B 267 REMARK 465 LEU B 268 REMARK 465 LEU B 269 REMARK 465 LEU B 270 REMARK 465 LEU B 271 REMARK 465 LYS B 272 REMARK 465 SER B 273 REMARK 465 VAL B 274 REMARK 465 VAL B 275 REMARK 465 TYR B 276 REMARK 465 PHE B 277 REMARK 465 ALA B 278 REMARK 465 ILE B 279 REMARK 465 ILE B 280 REMARK 465 THR B 281 REMARK 465 CYS B 282 REMARK 465 CYS B 283 REMARK 465 LEU B 284 REMARK 465 LEU B 285 REMARK 465 ARG B 286 REMARK 465 ARG B 287 REMARK 465 THR B 288 REMARK 465 ALA B 289 REMARK 465 PHE B 290 REMARK 465 CYS B 291 REMARK 465 CYS B 292 REMARK 465 ASN B 293 REMARK 465 GLY B 294 REMARK 465 GLU B 295 REMARK 465 LYS B 296 REMARK 465 SER B 297 REMARK 465 SER C 120 REMARK 465 ALA C 121 REMARK 465 ALA C 122 REMARK 465 LYS C 123 REMARK 465 THR C 124 REMARK 465 THR C 125 REMARK 465 PRO C 126 REMARK 465 PRO C 127 REMARK 465 SER C 128 REMARK 465 VAL C 129 REMARK 465 TYR C 130 REMARK 465 PRO C 131 REMARK 465 LEU C 132 REMARK 465 ALA C 133 REMARK 465 PRO C 134 REMARK 465 GLY C 135 REMARK 465 SER C 136 REMARK 465 ALA C 137 REMARK 465 ALA C 138 REMARK 465 GLN C 139 REMARK 465 THR C 140 REMARK 465 ASN C 141 REMARK 465 SER C 142 REMARK 465 MET C 143 REMARK 465 VAL C 144 REMARK 465 THR C 145 REMARK 465 LEU C 146 REMARK 465 GLY C 147 REMARK 465 CYS C 148 REMARK 465 LEU C 149 REMARK 465 VAL C 150 REMARK 465 LYS C 151 REMARK 465 GLY C 152 REMARK 465 TYR C 153 REMARK 465 PHE C 154 REMARK 465 PRO C 155 REMARK 465 GLU C 156 REMARK 465 PRO C 157 REMARK 465 VAL C 158 REMARK 465 THR C 159 REMARK 465 VAL C 160 REMARK 465 THR C 161 REMARK 465 TRP C 162 REMARK 465 ASN C 163 REMARK 465 SER C 164 REMARK 465 GLY C 165 REMARK 465 SER C 166 REMARK 465 LEU C 167 REMARK 465 SER C 168 REMARK 465 SER C 169 REMARK 465 GLY C 170 REMARK 465 VAL C 171 REMARK 465 HIS C 172 REMARK 465 THR C 173 REMARK 465 PHE C 174 REMARK 465 PRO C 175 REMARK 465 ALA C 176 REMARK 465 VAL C 177 REMARK 465 LEU C 178 REMARK 465 GLN C 179 REMARK 465 SER C 180 REMARK 465 ASP C 181 REMARK 465 LEU C 182 REMARK 465 TYR C 183 REMARK 465 THR C 184 REMARK 465 LEU C 185 REMARK 465 SER C 186 REMARK 465 SER C 187 REMARK 465 SER C 188 REMARK 465 VAL C 189 REMARK 465 THR C 190 REMARK 465 VAL C 191 REMARK 465 PRO C 192 REMARK 465 SER C 193 REMARK 465 SER C 194 REMARK 465 THR C 195 REMARK 465 TRP C 196 REMARK 465 PRO C 197 REMARK 465 SER C 198 REMARK 465 GLU C 199 REMARK 465 THR C 200 REMARK 465 VAL C 201 REMARK 465 THR C 202 REMARK 465 CYS C 203 REMARK 465 ASN C 204 REMARK 465 VAL C 205 REMARK 465 ALA C 206 REMARK 465 HIS C 207 REMARK 465 PRO C 208 REMARK 465 ALA C 209 REMARK 465 SER C 210 REMARK 465 SER C 211 REMARK 465 THR C 212 REMARK 465 LYS C 213 REMARK 465 VAL C 214 REMARK 465 ASP C 215 REMARK 465 LYS C 216 REMARK 465 LYS C 217 REMARK 465 ILE C 218 REMARK 465 VAL C 219 REMARK 465 PRO C 220 REMARK 465 ARG C 221 REMARK 465 ASP C 222 REMARK 465 CYS C 223 REMARK 465 GLY C 224 REMARK 465 ARG D 113 REMARK 465 ALA D 114 REMARK 465 ASP D 115 REMARK 465 ALA D 116 REMARK 465 ALA D 117 REMARK 465 PRO D 118 REMARK 465 THR D 119 REMARK 465 VAL D 120 REMARK 465 SER D 121 REMARK 465 ILE D 122 REMARK 465 PHE D 123 REMARK 465 PRO D 124 REMARK 465 PRO D 125 REMARK 465 SER D 126 REMARK 465 SER D 127 REMARK 465 GLU D 128 REMARK 465 GLN D 129 REMARK 465 LEU D 130 REMARK 465 THR D 131 REMARK 465 SER D 132 REMARK 465 GLY D 133 REMARK 465 GLY D 134 REMARK 465 ALA D 135 REMARK 465 SER D 136 REMARK 465 VAL D 137 REMARK 465 VAL D 138 REMARK 465 CYS D 139 REMARK 465 PHE D 140 REMARK 465 LEU D 141 REMARK 465 ASN D 142 REMARK 465 ASN D 143 REMARK 465 PHE D 144 REMARK 465 TYR D 145 REMARK 465 PRO D 146 REMARK 465 LYS D 147 REMARK 465 ASP D 148 REMARK 465 ILE D 149 REMARK 465 ASN D 150 REMARK 465 VAL D 151 REMARK 465 LYS D 152 REMARK 465 TRP D 153 REMARK 465 LYS D 154 REMARK 465 ILE D 155 REMARK 465 ASP D 156 REMARK 465 GLY D 157 REMARK 465 SER D 158 REMARK 465 GLU D 159 REMARK 465 ARG D 160 REMARK 465 GLN D 161 REMARK 465 ASN D 162 REMARK 465 GLY D 163 REMARK 465 VAL D 164 REMARK 465 LEU D 165 REMARK 465 ASN D 166 REMARK 465 SER D 167 REMARK 465 TRP D 168 REMARK 465 THR D 169 REMARK 465 ASP D 170 REMARK 465 GLN D 171 REMARK 465 ASP D 172 REMARK 465 SER D 173 REMARK 465 LYS D 174 REMARK 465 ASP D 175 REMARK 465 SER D 176 REMARK 465 THR D 177 REMARK 465 TYR D 178 REMARK 465 SER D 179 REMARK 465 MET D 180 REMARK 465 SER D 181 REMARK 465 SER D 182 REMARK 465 THR D 183 REMARK 465 LEU D 184 REMARK 465 THR D 185 REMARK 465 LEU D 186 REMARK 465 THR D 187 REMARK 465 LYS D 188 REMARK 465 ASP D 189 REMARK 465 GLU D 190 REMARK 465 TYR D 191 REMARK 465 GLU D 192 REMARK 465 ARG D 193 REMARK 465 HIS D 194 REMARK 465 ASN D 195 REMARK 465 SER D 196 REMARK 465 TYR D 197 REMARK 465 THR D 198 REMARK 465 CYS D 199 REMARK 465 GLU D 200 REMARK 465 ALA D 201 REMARK 465 THR D 202 REMARK 465 HIS D 203 REMARK 465 LYS D 204 REMARK 465 THR D 205 REMARK 465 SER D 206 REMARK 465 THR D 207 REMARK 465 SER D 208 REMARK 465 PRO D 209 REMARK 465 ILE D 210 REMARK 465 VAL D 211 REMARK 465 LYS D 212 REMARK 465 SER D 213 REMARK 465 PHE D 214 REMARK 465 ASN D 215 REMARK 465 ARG D 216 REMARK 465 GLY D 217 REMARK 465 GLU D 218 REMARK 465 CYS D 219 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU E 144 61.35 63.12 REMARK 500 SER E 156 -167.06 -161.15 REMARK 500 ARG F 77 -169.15 -129.63 REMARK 500 GLU F 172 -122.57 58.43 REMARK 500 ASN F 190 -127.45 53.69 REMARK 500 LYS F 204 46.71 -91.55 REMARK 500 SER F 205 -15.50 -142.47 REMARK 500 GLU F 226 117.20 -161.65 REMARK 500 ASP J 90 52.66 -90.98 REMARK 500 ASP J 100 -169.98 -126.70 REMARK 500 TYR J 102 -5.21 73.18 REMARK 500 LEU K 9 13.82 51.92 REMARK 500 THR K 10 146.50 -173.85 REMARK 500 VAL K 56 -57.56 64.06 REMARK 500 GLU A 144 61.35 63.12 REMARK 500 SER A 156 -166.94 -161.22 REMARK 500 ARG B 77 -169.25 -129.22 REMARK 500 GLU B 172 -122.68 58.46 REMARK 500 ASN B 190 -127.45 53.69 REMARK 500 LYS B 204 46.71 -91.55 REMARK 500 SER B 205 -15.50 -142.47 REMARK 500 GLU B 226 117.15 -161.65 REMARK 500 ASP C 90 52.66 -90.98 REMARK 500 ASP C 100 -169.98 -126.71 REMARK 500 TYR C 102 -5.22 73.18 REMARK 500 LEU D 9 13.82 51.91 REMARK 500 THR D 10 146.51 -173.85 REMARK 500 VAL D 56 -57.56 64.06 REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 BMA F 301 REMARK 610 BMA B 301 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-45814 RELATED DB: EMDB REMARK 900 DIMERIC 9C2 GAMMA DELTA TCR BOUND BY FAB 3 DBREF 9CQL E 4 283 PDB 9CQL 9CQL 4 283 DBREF 9CQL F 4 297 PDB 9CQL 9CQL 4 297 DBREF 9CQL J 1 224 PDB 9CQL 9CQL 1 224 DBREF 9CQL K 1 219 PDB 9CQL 9CQL 1 219 DBREF 9CQL A 4 283 PDB 9CQL 9CQL 4 283 DBREF 9CQL B 4 297 PDB 9CQL 9CQL 4 297 DBREF 9CQL C 1 224 PDB 9CQL 9CQL 1 224 DBREF 9CQL D 1 219 PDB 9CQL 9CQL 1 219 SEQRES 1 E 280 ALA GLN LYS VAL THR GLN ALA GLN SER SER VAL SER MET SEQRES 2 E 280 PRO VAL ARG LYS ALA VAL THR LEU ASN CYS LEU TYR GLU SEQRES 3 E 280 THR SER TRP TRP SER TYR TYR ILE PHE TRP TYR LYS GLN SEQRES 4 E 280 LEU PRO SER LYS GLU MET ILE PHE LEU ILE ARG GLN GLY SEQRES 5 E 280 SER ASP GLU GLN ASN ALA LYS SER GLY ARG TYR SER VAL SEQRES 6 E 280 ASN PHE LYS LYS ALA ALA LYS SER VAL ALA LEU THR ILE SEQRES 7 E 280 SER ALA LEU GLN LEU GLU ASP SER ALA LYS TYR PHE CYS SEQRES 8 E 280 ALA LEU GLY ASP PRO GLY GLY LEU ASN THR ASP LYS LEU SEQRES 9 E 280 ILE PHE GLY LYS GLY THR ARG VAL THR VAL GLU PRO ARG SEQRES 10 E 280 SER GLN PRO HIS THR LYS PRO SER VAL PHE VAL MET LYS SEQRES 11 E 280 ASN GLY THR ASN VAL ALA CYS LEU VAL LYS GLU PHE TYR SEQRES 12 E 280 PRO LYS ASP ILE ARG ILE ASN LEU VAL SER SER LYS LYS SEQRES 13 E 280 ILE THR GLU PHE ASP PRO ALA ILE VAL ILE SER PRO SER SEQRES 14 E 280 GLY LYS TYR ASN ALA VAL LYS LEU GLY LYS TYR GLU ASP SEQRES 15 E 280 SER ASN SER VAL THR CYS SER VAL GLN HIS ASP ASN LYS SEQRES 16 E 280 THR VAL HIS SER THR ASP PHE GLU VAL LYS THR ASP SER SEQRES 17 E 280 THR ASP HIS VAL LYS PRO LYS GLU THR GLU ASN THR LYS SEQRES 18 E 280 GLN PRO SER LYS SER CYS HIS LYS PRO LYS ALA ILE VAL SEQRES 19 E 280 HIS THR GLU LYS VAL ASN MET MET SER LEU THR VAL LEU SEQRES 20 E 280 GLY LEU ARG MET LEU PHE ALA LYS THR VAL ALA VAL ASN SEQRES 21 E 280 PHE LEU LEU THR ALA LYS LEU PHE PHE LEU SER ARG GLY SEQRES 22 E 280 ARG ALA LYS ARG GLY SER GLY SEQRES 1 F 294 SER SER ASN LEU GLU GLY GLY THR LYS SER VAL THR ARG SEQRES 2 F 294 PRO THR ARG SER SER ALA GLU ILE THR CYS ASP LEU THR SEQRES 3 F 294 VAL ILE ASN ALA PHE TYR ILE HIS TRP TYR LEU HIS GLN SEQRES 4 F 294 GLU GLY LYS ALA PRO GLN ARG LEU LEU TYR TYR ASP VAL SEQRES 5 F 294 SER ASN SER LYS ASP VAL LEU GLU SER GLY LEU SER PRO SEQRES 6 F 294 GLY LYS TYR TYR THR HIS THR PRO ARG ARG TRP SER TRP SEQRES 7 F 294 ILE LEU ILE LEU ARG ASN LEU ILE GLU ASN ASP SER GLY SEQRES 8 F 294 VAL TYR TYR CYS ALA THR TRP ASP ARG GLY ASN PRO LYS SEQRES 9 F 294 THR HIS TYR TYR LYS LYS LEU PHE GLY SER GLY THR THR SEQRES 10 F 294 LEU VAL VAL THR ASP LYS GLN LEU ASP ALA ASP VAL SER SEQRES 11 F 294 PRO LYS PRO THR ILE PHE LEU PRO SER ILE ALA GLU THR SEQRES 12 F 294 LYS LEU GLN LYS ALA GLY THR TYR LEU CYS LEU LEU GLU SEQRES 13 F 294 LYS PHE PHE PRO ASP VAL ILE LYS ILE HIS TRP GLN GLU SEQRES 14 F 294 LYS LYS SER ASN THR ILE LEU GLY SER GLN GLU GLY ASN SEQRES 15 F 294 THR MET LYS THR ASN ASP THR TYR MET LYS PHE SER TRP SEQRES 16 F 294 LEU THR VAL PRO GLU LYS SER LEU ASP LYS GLU HIS ARG SEQRES 17 F 294 CYS ILE VAL ARG HIS GLU ASN ASN LYS ASN GLY VAL ASP SEQRES 18 F 294 GLN GLU ILE ILE PHE PRO PRO ILE LYS THR ASP VAL ILE SEQRES 19 F 294 THR MET ASP PRO LYS ASP ASN CYS SER LYS ASP ALA ASN SEQRES 20 F 294 ASP THR LEU LEU LEU GLN LEU THR ASN THR SER ALA TYR SEQRES 21 F 294 TYR MET TYR LEU LEU LEU LEU LEU LYS SER VAL VAL TYR SEQRES 22 F 294 PHE ALA ILE ILE THR CYS CYS LEU LEU ARG ARG THR ALA SEQRES 23 F 294 PHE CYS CYS ASN GLY GLU LYS SER SEQRES 1 J 224 GLN VAL GLN LEU GLN GLN PRO GLY ALA ASP LEU VAL ARG SEQRES 2 J 224 PRO GLY THR SER VAL LYS LEU SER CYS LYS ALA SER GLY SEQRES 3 J 224 TYR THR PHE THR SER TYR TRP MET HIS TRP VAL GLN GLN SEQRES 4 J 224 ARG PRO GLY GLN GLY LEU GLU TRP ILE GLY VAL ILE ASP SEQRES 5 J 224 PRO SER ASP SER TYR THR ASN TYR ASN GLN LYS PHE LYS SEQRES 6 J 224 GLY LYS ALA THR LEU THR VAL ASP THR SER SER SER THR SEQRES 7 J 224 ALA TYR MET GLN LEU SER SER LEU THR SER GLU ASP SER SEQRES 8 J 224 ALA VAL TYR TYR CYS ALA ARG SER ASP ASP TYR ASP GLU SEQRES 9 J 224 GLY TYR PHE PHE ASP GLN TRP GLY GLN GLY THR THR LEU SEQRES 10 J 224 THR VAL SER ALA ALA LYS THR THR PRO PRO SER VAL TYR SEQRES 11 J 224 PRO LEU ALA PRO GLY SER ALA ALA GLN THR ASN SER MET SEQRES 12 J 224 VAL THR LEU GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU SEQRES 13 J 224 PRO VAL THR VAL THR TRP ASN SER GLY SER LEU SER SER SEQRES 14 J 224 GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER ASP LEU SEQRES 15 J 224 TYR THR LEU SER SER SER VAL THR VAL PRO SER SER THR SEQRES 16 J 224 TRP PRO SER GLU THR VAL THR CYS ASN VAL ALA HIS PRO SEQRES 17 J 224 ALA SER SER THR LYS VAL ASP LYS LYS ILE VAL PRO ARG SEQRES 18 J 224 ASP CYS GLY SEQRES 1 K 219 ASP VAL VAL MET THR GLN THR PRO LEU THR LEU SER VAL SEQRES 2 K 219 THR VAL GLY GLN PRO ALA SER ILE SER CYS LYS SER SER SEQRES 3 K 219 GLN SER LEU LEU HIS SER ASN GLY LYS THR TYR LEU ASN SEQRES 4 K 219 TRP LEU LEU GLN ARG PRO GLY GLN SER PRO LYS LEU LEU SEQRES 5 K 219 ILE TYR LEU VAL SER LYS VAL GLU SER GLY VAL PRO ASP SEQRES 6 K 219 ARG PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU SEQRES 7 K 219 LYS ILE SER ARG VAL GLU ALA GLU ASP LEU GLY LEU TYR SEQRES 8 K 219 TYR CYS LEU GLN VAL THR HIS PHE PRO LEU THR PHE GLY SEQRES 9 K 219 ALA GLY THR LYS LEU GLU LEU LYS ARG ALA ASP ALA ALA SEQRES 10 K 219 PRO THR VAL SER ILE PHE PRO PRO SER SER GLU GLN LEU SEQRES 11 K 219 THR SER GLY GLY ALA SER VAL VAL CYS PHE LEU ASN ASN SEQRES 12 K 219 PHE TYR PRO LYS ASP ILE ASN VAL LYS TRP LYS ILE ASP SEQRES 13 K 219 GLY SER GLU ARG GLN ASN GLY VAL LEU ASN SER TRP THR SEQRES 14 K 219 ASP GLN ASP SER LYS ASP SER THR TYR SER MET SER SER SEQRES 15 K 219 THR LEU THR LEU THR LYS ASP GLU TYR GLU ARG HIS ASN SEQRES 16 K 219 SER TYR THR CYS GLU ALA THR HIS LYS THR SER THR SER SEQRES 17 K 219 PRO ILE VAL LYS SER PHE ASN ARG GLY GLU CYS SEQRES 1 A 280 ALA GLN LYS VAL THR GLN ALA GLN SER SER VAL SER MET SEQRES 2 A 280 PRO VAL ARG LYS ALA VAL THR LEU ASN CYS LEU TYR GLU SEQRES 3 A 280 THR SER TRP TRP SER TYR TYR ILE PHE TRP TYR LYS GLN SEQRES 4 A 280 LEU PRO SER LYS GLU MET ILE PHE LEU ILE ARG GLN GLY SEQRES 5 A 280 SER ASP GLU GLN ASN ALA LYS SER GLY ARG TYR SER VAL SEQRES 6 A 280 ASN PHE LYS LYS ALA ALA LYS SER VAL ALA LEU THR ILE SEQRES 7 A 280 SER ALA LEU GLN LEU GLU ASP SER ALA LYS TYR PHE CYS SEQRES 8 A 280 ALA LEU GLY ASP PRO GLY GLY LEU ASN THR ASP LYS LEU SEQRES 9 A 280 ILE PHE GLY LYS GLY THR ARG VAL THR VAL GLU PRO ARG SEQRES 10 A 280 SER GLN PRO HIS THR LYS PRO SER VAL PHE VAL MET LYS SEQRES 11 A 280 ASN GLY THR ASN VAL ALA CYS LEU VAL LYS GLU PHE TYR SEQRES 12 A 280 PRO LYS ASP ILE ARG ILE ASN LEU VAL SER SER LYS LYS SEQRES 13 A 280 ILE THR GLU PHE ASP PRO ALA ILE VAL ILE SER PRO SER SEQRES 14 A 280 GLY LYS TYR ASN ALA VAL LYS LEU GLY LYS TYR GLU ASP SEQRES 15 A 280 SER ASN SER VAL THR CYS SER VAL GLN HIS ASP ASN LYS SEQRES 16 A 280 THR VAL HIS SER THR ASP PHE GLU VAL LYS THR ASP SER SEQRES 17 A 280 THR ASP HIS VAL LYS PRO LYS GLU THR GLU ASN THR LYS SEQRES 18 A 280 GLN PRO SER LYS SER CYS HIS LYS PRO LYS ALA ILE VAL SEQRES 19 A 280 HIS THR GLU LYS VAL ASN MET MET SER LEU THR VAL LEU SEQRES 20 A 280 GLY LEU ARG MET LEU PHE ALA LYS THR VAL ALA VAL ASN SEQRES 21 A 280 PHE LEU LEU THR ALA LYS LEU PHE PHE LEU SER ARG GLY SEQRES 22 A 280 ARG ALA LYS ARG GLY SER GLY SEQRES 1 B 294 SER SER ASN LEU GLU GLY GLY THR LYS SER VAL THR ARG SEQRES 2 B 294 PRO THR ARG SER SER ALA GLU ILE THR CYS ASP LEU THR SEQRES 3 B 294 VAL ILE ASN ALA PHE TYR ILE HIS TRP TYR LEU HIS GLN SEQRES 4 B 294 GLU GLY LYS ALA PRO GLN ARG LEU LEU TYR TYR ASP VAL SEQRES 5 B 294 SER ASN SER LYS ASP VAL LEU GLU SER GLY LEU SER PRO SEQRES 6 B 294 GLY LYS TYR TYR THR HIS THR PRO ARG ARG TRP SER TRP SEQRES 7 B 294 ILE LEU ILE LEU ARG ASN LEU ILE GLU ASN ASP SER GLY SEQRES 8 B 294 VAL TYR TYR CYS ALA THR TRP ASP ARG GLY ASN PRO LYS SEQRES 9 B 294 THR HIS TYR TYR LYS LYS LEU PHE GLY SER GLY THR THR SEQRES 10 B 294 LEU VAL VAL THR ASP LYS GLN LEU ASP ALA ASP VAL SER SEQRES 11 B 294 PRO LYS PRO THR ILE PHE LEU PRO SER ILE ALA GLU THR SEQRES 12 B 294 LYS LEU GLN LYS ALA GLY THR TYR LEU CYS LEU LEU GLU SEQRES 13 B 294 LYS PHE PHE PRO ASP VAL ILE LYS ILE HIS TRP GLN GLU SEQRES 14 B 294 LYS LYS SER ASN THR ILE LEU GLY SER GLN GLU GLY ASN SEQRES 15 B 294 THR MET LYS THR ASN ASP THR TYR MET LYS PHE SER TRP SEQRES 16 B 294 LEU THR VAL PRO GLU LYS SER LEU ASP LYS GLU HIS ARG SEQRES 17 B 294 CYS ILE VAL ARG HIS GLU ASN ASN LYS ASN GLY VAL ASP SEQRES 18 B 294 GLN GLU ILE ILE PHE PRO PRO ILE LYS THR ASP VAL ILE SEQRES 19 B 294 THR MET ASP PRO LYS ASP ASN CYS SER LYS ASP ALA ASN SEQRES 20 B 294 ASP THR LEU LEU LEU GLN LEU THR ASN THR SER ALA TYR SEQRES 21 B 294 TYR MET TYR LEU LEU LEU LEU LEU LYS SER VAL VAL TYR SEQRES 22 B 294 PHE ALA ILE ILE THR CYS CYS LEU LEU ARG ARG THR ALA SEQRES 23 B 294 PHE CYS CYS ASN GLY GLU LYS SER SEQRES 1 C 224 GLN VAL GLN LEU GLN GLN PRO GLY ALA ASP LEU VAL ARG SEQRES 2 C 224 PRO GLY THR SER VAL LYS LEU SER CYS LYS ALA SER GLY SEQRES 3 C 224 TYR THR PHE THR SER TYR TRP MET HIS TRP VAL GLN GLN SEQRES 4 C 224 ARG PRO GLY GLN GLY LEU GLU TRP ILE GLY VAL ILE ASP SEQRES 5 C 224 PRO SER ASP SER TYR THR ASN TYR ASN GLN LYS PHE LYS SEQRES 6 C 224 GLY LYS ALA THR LEU THR VAL ASP THR SER SER SER THR SEQRES 7 C 224 ALA TYR MET GLN LEU SER SER LEU THR SER GLU ASP SER SEQRES 8 C 224 ALA VAL TYR TYR CYS ALA ARG SER ASP ASP TYR ASP GLU SEQRES 9 C 224 GLY TYR PHE PHE ASP GLN TRP GLY GLN GLY THR THR LEU SEQRES 10 C 224 THR VAL SER ALA ALA LYS THR THR PRO PRO SER VAL TYR SEQRES 11 C 224 PRO LEU ALA PRO GLY SER ALA ALA GLN THR ASN SER MET SEQRES 12 C 224 VAL THR LEU GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU SEQRES 13 C 224 PRO VAL THR VAL THR TRP ASN SER GLY SER LEU SER SER SEQRES 14 C 224 GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER ASP LEU SEQRES 15 C 224 TYR THR LEU SER SER SER VAL THR VAL PRO SER SER THR SEQRES 16 C 224 TRP PRO SER GLU THR VAL THR CYS ASN VAL ALA HIS PRO SEQRES 17 C 224 ALA SER SER THR LYS VAL ASP LYS LYS ILE VAL PRO ARG SEQRES 18 C 224 ASP CYS GLY SEQRES 1 D 219 ASP VAL VAL MET THR GLN THR PRO LEU THR LEU SER VAL SEQRES 2 D 219 THR VAL GLY GLN PRO ALA SER ILE SER CYS LYS SER SER SEQRES 3 D 219 GLN SER LEU LEU HIS SER ASN GLY LYS THR TYR LEU ASN SEQRES 4 D 219 TRP LEU LEU GLN ARG PRO GLY GLN SER PRO LYS LEU LEU SEQRES 5 D 219 ILE TYR LEU VAL SER LYS VAL GLU SER GLY VAL PRO ASP SEQRES 6 D 219 ARG PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU SEQRES 7 D 219 LYS ILE SER ARG VAL GLU ALA GLU ASP LEU GLY LEU TYR SEQRES 8 D 219 TYR CYS LEU GLN VAL THR HIS PHE PRO LEU THR PHE GLY SEQRES 9 D 219 ALA GLY THR LYS LEU GLU LEU LYS ARG ALA ASP ALA ALA SEQRES 10 D 219 PRO THR VAL SER ILE PHE PRO PRO SER SER GLU GLN LEU SEQRES 11 D 219 THR SER GLY GLY ALA SER VAL VAL CYS PHE LEU ASN ASN SEQRES 12 D 219 PHE TYR PRO LYS ASP ILE ASN VAL LYS TRP LYS ILE ASP SEQRES 13 D 219 GLY SER GLU ARG GLN ASN GLY VAL LEU ASN SER TRP THR SEQRES 14 D 219 ASP GLN ASP SER LYS ASP SER THR TYR SER MET SER SER SEQRES 15 D 219 THR LEU THR LEU THR LYS ASP GLU TYR GLU ARG HIS ASN SEQRES 16 D 219 SER TYR THR CYS GLU ALA THR HIS LYS THR SER THR SER SEQRES 17 D 219 PRO ILE VAL LYS SER PHE ASN ARG GLY GLU CYS HET NAG G 1 14 HET NAG G 2 14 HET NAG H 1 14 HET NAG H 2 14 HET NAG E 301 14 HET BMA F 301 11 HET NAG F 302 14 HET NAG A 301 14 HET BMA B 301 11 HET NAG B 302 14 HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE HETNAM BMA BETA-D-MANNOPYRANOSE HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA- HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO- HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE FORMUL 9 NAG 8(C8 H15 N O6) FORMUL 12 BMA 2(C6 H12 O6) HELIX 1 AA1 ASP E 185 VAL E 189 5 5 HELIX 2 AA2 THR E 203 PHE E 205 5 3 HELIX 3 AA3 ILE F 89 SER F 93 5 5 HELIX 4 AA4 SER F 142 GLN F 149 1 8 HELIX 5 AA5 PRO F 202 LEU F 206 5 5 HELIX 6 AA6 ASN F 219 VAL F 223 5 5 HELIX 7 AA7 ASP A 185 VAL A 189 5 5 HELIX 8 AA8 THR A 203 PHE A 205 5 3 HELIX 9 AA9 ILE B 89 SER B 93 5 5 HELIX 10 AB1 SER B 142 GLN B 149 1 8 HELIX 11 AB2 PRO B 202 LEU B 206 5 5 HELIX 12 AB3 ASN B 219 VAL B 223 5 5 SHEET 1 AA1 2 LYS E 6 THR E 8 0 SHEET 2 AA1 2 LEU E 27 GLU E 29 -1 O LEU E 27 N THR E 8 SHEET 1 AA2 5 VAL E 14 PRO E 17 0 SHEET 2 AA2 5 THR E 113 GLU E 118 1 O THR E 116 N MET E 16 SHEET 3 AA2 5 ALA E 90 GLY E 97 -1 N ALA E 90 O VAL E 115 SHEET 4 AA2 5 TYR E 36 GLN E 42 -1 N PHE E 38 O ALA E 95 SHEET 5 AA2 5 MET E 48 GLY E 55 -1 O ILE E 49 N LYS E 41 SHEET 1 AA3 4 VAL E 14 PRO E 17 0 SHEET 2 AA3 4 THR E 113 GLU E 118 1 O THR E 116 N MET E 16 SHEET 3 AA3 4 ALA E 90 GLY E 97 -1 N ALA E 90 O VAL E 115 SHEET 4 AA3 4 LEU E 107 PHE E 109 -1 O ILE E 108 N LEU E 96 SHEET 1 AA4 4 VAL E 22 LEU E 24 0 SHEET 2 AA4 4 ALA E 78 ILE E 81 -1 O LEU E 79 N LEU E 24 SHEET 3 AA4 4 TYR E 66 ASN E 69 -1 N SER E 67 O THR E 80 SHEET 4 AA4 4 LYS E 62 SER E 63 -1 N SER E 63 O TYR E 66 SHEET 1 AA5 4 SER E 128 ASN E 134 0 SHEET 2 AA5 4 ASN E 137 PHE E 145 -1 O ALA E 139 N MET E 132 SHEET 3 AA5 4 TYR E 175 TYR E 183 -1 O ALA E 177 N VAL E 142 SHEET 4 AA5 4 LYS E 159 GLU E 162 -1 N THR E 161 O LYS E 182 SHEET 1 AA6 4 SER E 128 ASN E 134 0 SHEET 2 AA6 4 ASN E 137 PHE E 145 -1 O ALA E 139 N MET E 132 SHEET 3 AA6 4 TYR E 175 TYR E 183 -1 O ALA E 177 N VAL E 142 SHEET 4 AA6 4 ALA E 166 ILE E 169 -1 N ALA E 166 O VAL E 178 SHEET 1 AA7 3 ILE E 152 VAL E 155 0 SHEET 2 AA7 3 THR E 190 HIS E 195 -1 O SER E 192 N ASN E 153 SHEET 3 AA7 3 LYS E 198 HIS E 201 -1 O VAL E 200 N VAL E 193 SHEET 1 AA8 6 LYS F 12 ARG F 16 0 SHEET 2 AA8 6 THR F 119 VAL F 123 1 O VAL F 122 N VAL F 14 SHEET 3 AA8 6 GLY F 94 TRP F 101 -1 N GLY F 94 O LEU F 121 SHEET 4 AA8 6 TYR F 35 HIS F 41 -1 N HIS F 37 O ALA F 99 SHEET 5 AA8 6 GLN F 48 ASP F 54 -1 O GLN F 48 N LEU F 40 SHEET 6 AA8 6 LYS F 59 LEU F 62 -1 O VAL F 61 N TYR F 52 SHEET 1 AA9 4 LYS F 12 ARG F 16 0 SHEET 2 AA9 4 THR F 119 VAL F 123 1 O VAL F 122 N VAL F 14 SHEET 3 AA9 4 GLY F 94 TRP F 101 -1 N GLY F 94 O LEU F 121 SHEET 4 AA9 4 LYS F 113 PHE F 115 -1 O LEU F 114 N THR F 100 SHEET 1 AB1 3 ALA F 22 THR F 25 0 SHEET 2 AB1 3 SER F 80 LEU F 85 -1 O LEU F 83 N ILE F 24 SHEET 3 AB1 3 THR F 73 ARG F 77 -1 N HIS F 74 O ILE F 82 SHEET 1 AB2 4 LYS F 135 PRO F 136 0 SHEET 2 AB2 4 GLY F 152 PHE F 161 -1 O GLU F 159 N LYS F 135 SHEET 3 AB2 4 THR F 192 VAL F 201 -1 O VAL F 201 N GLY F 152 SHEET 4 AB2 4 MET F 187 THR F 189 -1 N MET F 187 O MET F 194 SHEET 1 AB3 2 ILE F 166 TRP F 170 0 SHEET 2 AB3 2 CYS F 212 HIS F 216 -1 O ARG F 215 N LYS F 167 SHEET 1 AB4 4 GLN J 3 GLN J 5 0 SHEET 2 AB4 4 VAL J 18 SER J 25 -1 O SER J 25 N GLN J 3 SHEET 3 AB4 4 THR J 78 LEU J 83 -1 O LEU J 83 N VAL J 18 SHEET 4 AB4 4 ALA J 68 ASP J 73 -1 N ASP J 73 O THR J 78 SHEET 1 AB5 6 ALA J 9 LEU J 11 0 SHEET 2 AB5 6 THR J 115 THR J 118 1 O THR J 118 N ASP J 10 SHEET 3 AB5 6 ALA J 92 ARG J 98 -1 N TYR J 94 O THR J 115 SHEET 4 AB5 6 MET J 34 GLN J 39 -1 N GLN J 39 O VAL J 93 SHEET 5 AB5 6 LEU J 45 ASP J 52 -1 O GLU J 46 N GLN J 38 SHEET 6 AB5 6 TYR J 57 TYR J 60 -1 O ASN J 59 N VAL J 50 SHEET 1 AB6 4 MET K 4 GLN K 6 0 SHEET 2 AB6 4 ALA K 19 SER K 25 -1 O LYS K 24 N THR K 5 SHEET 3 AB6 4 ASP K 75 ILE K 80 -1 O PHE K 76 N CYS K 23 SHEET 4 AB6 4 PHE K 67 SER K 72 -1 N SER K 70 O THR K 77 SHEET 1 AB7 5 LEU K 11 SER K 12 0 SHEET 2 AB7 5 THR K 107 GLU K 110 1 O GLU K 110 N LEU K 11 SHEET 3 AB7 5 GLY K 89 LEU K 94 -1 N GLY K 89 O LEU K 109 SHEET 4 AB7 5 ASN K 39 GLN K 43 -1 N LEU K 41 O TYR K 92 SHEET 5 AB7 5 LYS K 50 ILE K 53 -1 O LYS K 50 N LEU K 42 SHEET 1 AB8 2 LYS A 6 THR A 8 0 SHEET 2 AB8 2 LEU A 27 GLU A 29 -1 O LEU A 27 N THR A 8 SHEET 1 AB9 5 VAL A 14 PRO A 17 0 SHEET 2 AB9 5 THR A 113 GLU A 118 1 O THR A 116 N MET A 16 SHEET 3 AB9 5 ALA A 90 GLY A 97 -1 N ALA A 90 O VAL A 115 SHEET 4 AB9 5 TYR A 36 GLN A 42 -1 N PHE A 38 O ALA A 95 SHEET 5 AB9 5 MET A 48 GLY A 55 -1 O ILE A 49 N LYS A 41 SHEET 1 AC1 4 VAL A 14 PRO A 17 0 SHEET 2 AC1 4 THR A 113 GLU A 118 1 O THR A 116 N MET A 16 SHEET 3 AC1 4 ALA A 90 GLY A 97 -1 N ALA A 90 O VAL A 115 SHEET 4 AC1 4 LEU A 107 PHE A 109 -1 O ILE A 108 N LEU A 96 SHEET 1 AC2 4 VAL A 22 LEU A 24 0 SHEET 2 AC2 4 ALA A 78 ILE A 81 -1 O LEU A 79 N LEU A 24 SHEET 3 AC2 4 TYR A 66 ASN A 69 -1 N SER A 67 O THR A 80 SHEET 4 AC2 4 LYS A 62 SER A 63 -1 N SER A 63 O TYR A 66 SHEET 1 AC3 4 SER A 128 ASN A 134 0 SHEET 2 AC3 4 ASN A 137 PHE A 145 -1 O ALA A 139 N MET A 132 SHEET 3 AC3 4 TYR A 175 TYR A 183 -1 O ALA A 177 N VAL A 142 SHEET 4 AC3 4 LYS A 159 GLU A 162 -1 N THR A 161 O LYS A 182 SHEET 1 AC4 4 SER A 128 ASN A 134 0 SHEET 2 AC4 4 ASN A 137 PHE A 145 -1 O ALA A 139 N MET A 132 SHEET 3 AC4 4 TYR A 175 TYR A 183 -1 O ALA A 177 N VAL A 142 SHEET 4 AC4 4 ALA A 166 ILE A 169 -1 N ALA A 166 O VAL A 178 SHEET 1 AC5 3 ILE A 152 VAL A 155 0 SHEET 2 AC5 3 THR A 190 HIS A 195 -1 O SER A 192 N ASN A 153 SHEET 3 AC5 3 LYS A 198 HIS A 201 -1 O VAL A 200 N VAL A 193 SHEET 1 AC6 6 LYS B 12 ARG B 16 0 SHEET 2 AC6 6 THR B 119 VAL B 123 1 O VAL B 122 N VAL B 14 SHEET 3 AC6 6 GLY B 94 TRP B 101 -1 N GLY B 94 O LEU B 121 SHEET 4 AC6 6 TYR B 35 HIS B 41 -1 N HIS B 37 O ALA B 99 SHEET 5 AC6 6 GLN B 48 ASP B 54 -1 O GLN B 48 N LEU B 40 SHEET 6 AC6 6 LYS B 59 LEU B 62 -1 O VAL B 61 N TYR B 52 SHEET 1 AC7 4 LYS B 12 ARG B 16 0 SHEET 2 AC7 4 THR B 119 VAL B 123 1 O VAL B 122 N VAL B 14 SHEET 3 AC7 4 GLY B 94 TRP B 101 -1 N GLY B 94 O LEU B 121 SHEET 4 AC7 4 LYS B 113 PHE B 115 -1 O LEU B 114 N THR B 100 SHEET 1 AC8 3 ALA B 22 THR B 25 0 SHEET 2 AC8 3 SER B 80 LEU B 85 -1 O LEU B 83 N ILE B 24 SHEET 3 AC8 3 THR B 73 ARG B 77 -1 N HIS B 74 O ILE B 82 SHEET 1 AC9 4 LYS B 135 PRO B 136 0 SHEET 2 AC9 4 GLY B 152 PHE B 161 -1 O GLU B 159 N LYS B 135 SHEET 3 AC9 4 THR B 192 VAL B 201 -1 O VAL B 201 N GLY B 152 SHEET 4 AC9 4 MET B 187 THR B 189 -1 N MET B 187 O MET B 194 SHEET 1 AD1 2 ILE B 166 TRP B 170 0 SHEET 2 AD1 2 CYS B 212 HIS B 216 -1 O ARG B 215 N LYS B 167 SHEET 1 AD2 4 GLN C 3 GLN C 5 0 SHEET 2 AD2 4 VAL C 18 SER C 25 -1 O SER C 25 N GLN C 3 SHEET 3 AD2 4 THR C 78 LEU C 83 -1 O LEU C 83 N VAL C 18 SHEET 4 AD2 4 ALA C 68 ASP C 73 -1 N ASP C 73 O THR C 78 SHEET 1 AD3 6 ALA C 9 LEU C 11 0 SHEET 2 AD3 6 THR C 115 THR C 118 1 O THR C 118 N ASP C 10 SHEET 3 AD3 6 ALA C 92 ARG C 98 -1 N TYR C 94 O THR C 115 SHEET 4 AD3 6 MET C 34 GLN C 39 -1 N GLN C 39 O VAL C 93 SHEET 5 AD3 6 LEU C 45 ASP C 52 -1 O GLU C 46 N GLN C 38 SHEET 6 AD3 6 TYR C 57 TYR C 60 -1 O ASN C 59 N VAL C 50 SHEET 1 AD4 4 MET D 4 GLN D 6 0 SHEET 2 AD4 4 ALA D 19 SER D 25 -1 O LYS D 24 N THR D 5 SHEET 3 AD4 4 ASP D 75 ILE D 80 -1 O PHE D 76 N CYS D 23 SHEET 4 AD4 4 PHE D 67 SER D 72 -1 N SER D 70 O THR D 77 SHEET 1 AD5 5 LEU D 11 SER D 12 0 SHEET 2 AD5 5 THR D 107 GLU D 110 1 O GLU D 110 N LEU D 11 SHEET 3 AD5 5 GLY D 89 LEU D 94 -1 N GLY D 89 O LEU D 109 SHEET 4 AD5 5 ASN D 39 GLN D 43 -1 N LEU D 41 O TYR D 92 SHEET 5 AD5 5 LYS D 50 ILE D 53 -1 O LYS D 50 N LEU D 42 SSBOND 1 CYS E 26 CYS E 94 1555 1555 2.03 SSBOND 2 CYS E 140 CYS E 191 1555 1555 2.03 SSBOND 3 CYS F 26 CYS F 98 1555 1555 2.03 SSBOND 4 CYS F 156 CYS F 212 1555 1555 2.03 SSBOND 5 CYS J 22 CYS J 96 1555 1555 2.03 SSBOND 6 CYS K 23 CYS K 93 1555 1555 2.04 SSBOND 7 CYS A 26 CYS A 94 1555 1555 2.03 SSBOND 8 CYS A 140 CYS A 191 1555 1555 2.03 SSBOND 9 CYS B 26 CYS B 98 1555 1555 2.03 SSBOND 10 CYS B 156 CYS B 212 1555 1555 2.03 SSBOND 11 CYS C 22 CYS C 96 1555 1555 2.03 SSBOND 12 CYS D 23 CYS D 93 1555 1555 2.04 LINK ND2 ASN E 134 C1 NAG G 1 1555 1555 1.44 LINK ND2 ASN E 197 C1 NAG E 301 1555 1555 1.44 LINK ND2 ASN F 190 C1 NAG F 302 1555 1555 1.44 LINK ND2 ASN A 134 C1 NAG H 1 1555 1555 1.44 LINK ND2 ASN A 197 C1 NAG A 301 1555 1555 1.44 LINK ND2 ASN B 190 C1 NAG B 302 1555 1555 1.44 LINK O4 NAG G 1 C1 NAG G 2 1555 1555 1.44 LINK O4 NAG H 1 C1 NAG H 2 1555 1555 1.44 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000