HEADER MEMBRANE PROTEIN/IMMUNE SYSTEM 19-JUL-24 9CQ8 TITLE DIMERIC 9C2 GAMMA DELTA TCR EXTRACELLULAR DOMAIN BOUND BY FAB 2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: 9C2 TCR DELTA CHAIN; COMPND 3 CHAIN: A, D; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 9C2 TCR GAMMA CHAIN; COMPND 7 CHAIN: B, F; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: ANTI TCR VARIABLE DELTA 1 FAB HEAVY CHAIN; COMPND 11 CHAIN: C, G; COMPND 12 ENGINEERED: YES; COMPND 13 MOL_ID: 4; COMPND 14 MOLECULE: ANTI TCR VARIABLE DELTA 1 FAB LIGHT CHAIN; COMPND 15 CHAIN: E, H; 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, MEMBRANE PROTEIN-IMMUNE SYSTEM COMPLEX EXPDTA ELECTRON MICROSCOPY AUTHOR M.HOQUE,K.SAOTOME,M.C.FRANKLIN REVDAT 1 15-JAN-25 9CQ8 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. 3.45 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) : 3.450 REMARK 3 NUMBER OF PARTICLES : 31918 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 9CQ8 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_1000286085. 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: A, B, C, E, D, F, G, H, I, J, REMARK 350 AND CHAINS: K, L 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 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 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 ALA C 122 REMARK 465 ALA C 123 REMARK 465 LYS C 124 REMARK 465 THR C 125 REMARK 465 THR C 126 REMARK 465 PRO C 127 REMARK 465 PRO C 128 REMARK 465 SER C 129 REMARK 465 VAL C 130 REMARK 465 TYR C 131 REMARK 465 PRO C 132 REMARK 465 LEU C 133 REMARK 465 ALA C 134 REMARK 465 PRO C 135 REMARK 465 GLY C 136 REMARK 465 SER C 137 REMARK 465 ALA C 138 REMARK 465 ALA C 139 REMARK 465 GLN C 140 REMARK 465 THR C 141 REMARK 465 ASN C 142 REMARK 465 SER C 143 REMARK 465 MET C 144 REMARK 465 VAL C 145 REMARK 465 THR C 146 REMARK 465 LEU C 147 REMARK 465 GLY C 148 REMARK 465 CYS C 149 REMARK 465 LEU C 150 REMARK 465 VAL C 151 REMARK 465 LYS C 152 REMARK 465 GLY C 153 REMARK 465 TYR C 154 REMARK 465 PHE C 155 REMARK 465 PRO C 156 REMARK 465 GLU C 157 REMARK 465 PRO C 158 REMARK 465 VAL C 159 REMARK 465 THR C 160 REMARK 465 VAL C 161 REMARK 465 THR C 162 REMARK 465 TRP C 163 REMARK 465 ASN C 164 REMARK 465 SER C 165 REMARK 465 GLY C 166 REMARK 465 SER C 167 REMARK 465 LEU C 168 REMARK 465 SER C 169 REMARK 465 SER C 170 REMARK 465 GLY C 171 REMARK 465 VAL C 172 REMARK 465 HIS C 173 REMARK 465 THR C 174 REMARK 465 PHE C 175 REMARK 465 PRO C 176 REMARK 465 ALA C 177 REMARK 465 VAL C 178 REMARK 465 LEU C 179 REMARK 465 GLN C 180 REMARK 465 SER C 181 REMARK 465 ASP C 182 REMARK 465 LEU C 183 REMARK 465 TYR C 184 REMARK 465 THR C 185 REMARK 465 LEU C 186 REMARK 465 SER C 187 REMARK 465 SER C 188 REMARK 465 SER C 189 REMARK 465 VAL C 190 REMARK 465 THR C 191 REMARK 465 VAL C 192 REMARK 465 PRO C 193 REMARK 465 SER C 194 REMARK 465 SER C 195 REMARK 465 THR C 196 REMARK 465 TRP C 197 REMARK 465 PRO C 198 REMARK 465 SER C 199 REMARK 465 GLU C 200 REMARK 465 THR C 201 REMARK 465 VAL C 202 REMARK 465 THR C 203 REMARK 465 CYS C 204 REMARK 465 ASN C 205 REMARK 465 VAL C 206 REMARK 465 ALA C 207 REMARK 465 HIS C 208 REMARK 465 PRO C 209 REMARK 465 ALA C 210 REMARK 465 SER C 211 REMARK 465 SER C 212 REMARK 465 THR C 213 REMARK 465 LYS C 214 REMARK 465 VAL C 215 REMARK 465 ASP C 216 REMARK 465 LYS C 217 REMARK 465 LYS C 218 REMARK 465 ILE C 219 REMARK 465 VAL C 220 REMARK 465 PRO C 221 REMARK 465 ARG C 222 REMARK 465 ASP C 223 REMARK 465 CYS C 224 REMARK 465 GLY C 225 REMARK 465 ARG E 107 REMARK 465 ALA E 108 REMARK 465 ASP E 109 REMARK 465 ALA E 110 REMARK 465 ALA E 111 REMARK 465 PRO E 112 REMARK 465 THR E 113 REMARK 465 VAL E 114 REMARK 465 SER E 115 REMARK 465 ILE E 116 REMARK 465 PHE E 117 REMARK 465 PRO E 118 REMARK 465 PRO E 119 REMARK 465 SER E 120 REMARK 465 SER E 121 REMARK 465 GLU E 122 REMARK 465 GLN E 123 REMARK 465 LEU E 124 REMARK 465 THR E 125 REMARK 465 SER E 126 REMARK 465 GLY E 127 REMARK 465 GLY E 128 REMARK 465 ALA E 129 REMARK 465 SER E 130 REMARK 465 VAL E 131 REMARK 465 VAL E 132 REMARK 465 CYS E 133 REMARK 465 PHE E 134 REMARK 465 LEU E 135 REMARK 465 ASN E 136 REMARK 465 ASN E 137 REMARK 465 PHE E 138 REMARK 465 TYR E 139 REMARK 465 PRO E 140 REMARK 465 LYS E 141 REMARK 465 ASP E 142 REMARK 465 ILE E 143 REMARK 465 ASN E 144 REMARK 465 VAL E 145 REMARK 465 LYS E 146 REMARK 465 TRP E 147 REMARK 465 LYS E 148 REMARK 465 ILE E 149 REMARK 465 ASP E 150 REMARK 465 GLY E 151 REMARK 465 SER E 152 REMARK 465 GLU E 153 REMARK 465 ARG E 154 REMARK 465 GLN E 155 REMARK 465 ASN E 156 REMARK 465 GLY E 157 REMARK 465 VAL E 158 REMARK 465 LEU E 159 REMARK 465 ASN E 160 REMARK 465 SER E 161 REMARK 465 TRP E 162 REMARK 465 THR E 163 REMARK 465 ASP E 164 REMARK 465 GLN E 165 REMARK 465 ASP E 166 REMARK 465 SER E 167 REMARK 465 LYS E 168 REMARK 465 ASP E 169 REMARK 465 SER E 170 REMARK 465 THR E 171 REMARK 465 TYR E 172 REMARK 465 SER E 173 REMARK 465 MET E 174 REMARK 465 SER E 175 REMARK 465 SER E 176 REMARK 465 THR E 177 REMARK 465 LEU E 178 REMARK 465 THR E 179 REMARK 465 LEU E 180 REMARK 465 THR E 181 REMARK 465 LYS E 182 REMARK 465 ASP E 183 REMARK 465 GLU E 184 REMARK 465 TYR E 185 REMARK 465 GLU E 186 REMARK 465 ARG E 187 REMARK 465 HIS E 188 REMARK 465 ASN E 189 REMARK 465 SER E 190 REMARK 465 TYR E 191 REMARK 465 THR E 192 REMARK 465 CYS E 193 REMARK 465 GLU E 194 REMARK 465 ALA E 195 REMARK 465 THR E 196 REMARK 465 HIS E 197 REMARK 465 LYS E 198 REMARK 465 THR E 199 REMARK 465 SER E 200 REMARK 465 THR E 201 REMARK 465 SER E 202 REMARK 465 PRO E 203 REMARK 465 ILE E 204 REMARK 465 VAL E 205 REMARK 465 LYS E 206 REMARK 465 SER E 207 REMARK 465 PHE E 208 REMARK 465 ASN E 209 REMARK 465 ARG E 210 REMARK 465 GLY E 211 REMARK 465 GLU E 212 REMARK 465 CYS E 213 REMARK 465 ALA D 4 REMARK 465 VAL D 207 REMARK 465 LYS D 208 REMARK 465 THR D 209 REMARK 465 ASP D 210 REMARK 465 SER D 211 REMARK 465 THR D 212 REMARK 465 ASP D 213 REMARK 465 HIS D 214 REMARK 465 VAL D 215 REMARK 465 LYS D 216 REMARK 465 PRO D 217 REMARK 465 LYS D 218 REMARK 465 GLU D 219 REMARK 465 THR D 220 REMARK 465 GLU D 221 REMARK 465 ASN D 222 REMARK 465 THR D 223 REMARK 465 LYS D 224 REMARK 465 GLN D 225 REMARK 465 PRO D 226 REMARK 465 SER D 227 REMARK 465 LYS D 228 REMARK 465 SER D 229 REMARK 465 CYS D 230 REMARK 465 HIS D 231 REMARK 465 LYS D 232 REMARK 465 PRO D 233 REMARK 465 LYS D 234 REMARK 465 ALA D 235 REMARK 465 ILE D 236 REMARK 465 VAL D 237 REMARK 465 HIS D 238 REMARK 465 THR D 239 REMARK 465 GLU D 240 REMARK 465 LYS D 241 REMARK 465 VAL D 242 REMARK 465 ASN D 243 REMARK 465 MET D 244 REMARK 465 MET D 245 REMARK 465 SER D 246 REMARK 465 LEU D 247 REMARK 465 THR D 248 REMARK 465 VAL D 249 REMARK 465 LEU D 250 REMARK 465 GLY D 251 REMARK 465 LEU D 252 REMARK 465 ARG D 253 REMARK 465 MET D 254 REMARK 465 LEU D 255 REMARK 465 PHE D 256 REMARK 465 ALA D 257 REMARK 465 LYS D 258 REMARK 465 THR D 259 REMARK 465 VAL D 260 REMARK 465 ALA D 261 REMARK 465 VAL D 262 REMARK 465 ASN D 263 REMARK 465 PHE D 264 REMARK 465 LEU D 265 REMARK 465 LEU D 266 REMARK 465 THR D 267 REMARK 465 ALA D 268 REMARK 465 LYS D 269 REMARK 465 LEU D 270 REMARK 465 PHE D 271 REMARK 465 PHE D 272 REMARK 465 LEU D 273 REMARK 465 SER D 274 REMARK 465 ARG D 275 REMARK 465 GLY D 276 REMARK 465 ARG D 277 REMARK 465 ALA D 278 REMARK 465 LYS D 279 REMARK 465 ARG D 280 REMARK 465 GLY D 281 REMARK 465 SER D 282 REMARK 465 GLY D 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 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 ALA G 122 REMARK 465 ALA G 123 REMARK 465 LYS G 124 REMARK 465 THR G 125 REMARK 465 THR G 126 REMARK 465 PRO G 127 REMARK 465 PRO G 128 REMARK 465 SER G 129 REMARK 465 VAL G 130 REMARK 465 TYR G 131 REMARK 465 PRO G 132 REMARK 465 LEU G 133 REMARK 465 ALA G 134 REMARK 465 PRO G 135 REMARK 465 GLY G 136 REMARK 465 SER G 137 REMARK 465 ALA G 138 REMARK 465 ALA G 139 REMARK 465 GLN G 140 REMARK 465 THR G 141 REMARK 465 ASN G 142 REMARK 465 SER G 143 REMARK 465 MET G 144 REMARK 465 VAL G 145 REMARK 465 THR G 146 REMARK 465 LEU G 147 REMARK 465 GLY G 148 REMARK 465 CYS G 149 REMARK 465 LEU G 150 REMARK 465 VAL G 151 REMARK 465 LYS G 152 REMARK 465 GLY G 153 REMARK 465 TYR G 154 REMARK 465 PHE G 155 REMARK 465 PRO G 156 REMARK 465 GLU G 157 REMARK 465 PRO G 158 REMARK 465 VAL G 159 REMARK 465 THR G 160 REMARK 465 VAL G 161 REMARK 465 THR G 162 REMARK 465 TRP G 163 REMARK 465 ASN G 164 REMARK 465 SER G 165 REMARK 465 GLY G 166 REMARK 465 SER G 167 REMARK 465 LEU G 168 REMARK 465 SER G 169 REMARK 465 SER G 170 REMARK 465 GLY G 171 REMARK 465 VAL G 172 REMARK 465 HIS G 173 REMARK 465 THR G 174 REMARK 465 PHE G 175 REMARK 465 PRO G 176 REMARK 465 ALA G 177 REMARK 465 VAL G 178 REMARK 465 LEU G 179 REMARK 465 GLN G 180 REMARK 465 SER G 181 REMARK 465 ASP G 182 REMARK 465 LEU G 183 REMARK 465 TYR G 184 REMARK 465 THR G 185 REMARK 465 LEU G 186 REMARK 465 SER G 187 REMARK 465 SER G 188 REMARK 465 SER G 189 REMARK 465 VAL G 190 REMARK 465 THR G 191 REMARK 465 VAL G 192 REMARK 465 PRO G 193 REMARK 465 SER G 194 REMARK 465 SER G 195 REMARK 465 THR G 196 REMARK 465 TRP G 197 REMARK 465 PRO G 198 REMARK 465 SER G 199 REMARK 465 GLU G 200 REMARK 465 THR G 201 REMARK 465 VAL G 202 REMARK 465 THR G 203 REMARK 465 CYS G 204 REMARK 465 ASN G 205 REMARK 465 VAL G 206 REMARK 465 ALA G 207 REMARK 465 HIS G 208 REMARK 465 PRO G 209 REMARK 465 ALA G 210 REMARK 465 SER G 211 REMARK 465 SER G 212 REMARK 465 THR G 213 REMARK 465 LYS G 214 REMARK 465 VAL G 215 REMARK 465 ASP G 216 REMARK 465 LYS G 217 REMARK 465 LYS G 218 REMARK 465 ILE G 219 REMARK 465 VAL G 220 REMARK 465 PRO G 221 REMARK 465 ARG G 222 REMARK 465 ASP G 223 REMARK 465 CYS G 224 REMARK 465 GLY G 225 REMARK 465 ARG H 107 REMARK 465 ALA H 108 REMARK 465 ASP H 109 REMARK 465 ALA H 110 REMARK 465 ALA H 111 REMARK 465 PRO H 112 REMARK 465 THR H 113 REMARK 465 VAL H 114 REMARK 465 SER H 115 REMARK 465 ILE H 116 REMARK 465 PHE H 117 REMARK 465 PRO H 118 REMARK 465 PRO H 119 REMARK 465 SER H 120 REMARK 465 SER H 121 REMARK 465 GLU H 122 REMARK 465 GLN H 123 REMARK 465 LEU H 124 REMARK 465 THR H 125 REMARK 465 SER H 126 REMARK 465 GLY H 127 REMARK 465 GLY H 128 REMARK 465 ALA H 129 REMARK 465 SER H 130 REMARK 465 VAL H 131 REMARK 465 VAL H 132 REMARK 465 CYS H 133 REMARK 465 PHE H 134 REMARK 465 LEU H 135 REMARK 465 ASN H 136 REMARK 465 ASN H 137 REMARK 465 PHE H 138 REMARK 465 TYR H 139 REMARK 465 PRO H 140 REMARK 465 LYS H 141 REMARK 465 ASP H 142 REMARK 465 ILE H 143 REMARK 465 ASN H 144 REMARK 465 VAL H 145 REMARK 465 LYS H 146 REMARK 465 TRP H 147 REMARK 465 LYS H 148 REMARK 465 ILE H 149 REMARK 465 ASP H 150 REMARK 465 GLY H 151 REMARK 465 SER H 152 REMARK 465 GLU H 153 REMARK 465 ARG H 154 REMARK 465 GLN H 155 REMARK 465 ASN H 156 REMARK 465 GLY H 157 REMARK 465 VAL H 158 REMARK 465 LEU H 159 REMARK 465 ASN H 160 REMARK 465 SER H 161 REMARK 465 TRP H 162 REMARK 465 THR H 163 REMARK 465 ASP H 164 REMARK 465 GLN H 165 REMARK 465 ASP H 166 REMARK 465 SER H 167 REMARK 465 LYS H 168 REMARK 465 ASP H 169 REMARK 465 SER H 170 REMARK 465 THR H 171 REMARK 465 TYR H 172 REMARK 465 SER H 173 REMARK 465 MET H 174 REMARK 465 SER H 175 REMARK 465 SER H 176 REMARK 465 THR H 177 REMARK 465 LEU H 178 REMARK 465 THR H 179 REMARK 465 LEU H 180 REMARK 465 THR H 181 REMARK 465 LYS H 182 REMARK 465 ASP H 183 REMARK 465 GLU H 184 REMARK 465 TYR H 185 REMARK 465 GLU H 186 REMARK 465 ARG H 187 REMARK 465 HIS H 188 REMARK 465 ASN H 189 REMARK 465 SER H 190 REMARK 465 TYR H 191 REMARK 465 THR H 192 REMARK 465 CYS H 193 REMARK 465 GLU H 194 REMARK 465 ALA H 195 REMARK 465 THR H 196 REMARK 465 HIS H 197 REMARK 465 LYS H 198 REMARK 465 THR H 199 REMARK 465 SER H 200 REMARK 465 THR H 201 REMARK 465 SER H 202 REMARK 465 PRO H 203 REMARK 465 ILE H 204 REMARK 465 VAL H 205 REMARK 465 LYS H 206 REMARK 465 SER H 207 REMARK 465 PHE H 208 REMARK 465 ASN H 209 REMARK 465 ARG H 210 REMARK 465 GLY H 211 REMARK 465 GLU H 212 REMARK 465 CYS H 213 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 SER B 80 102.67 -160.09 REMARK 500 ASN B 91 -10.44 77.12 REMARK 500 GLN B 127 167.31 63.56 REMARK 500 GLU B 159 -60.37 -93.06 REMARK 500 ASN B 190 -39.30 -36.93 REMARK 500 ASN B 221 -7.69 74.09 REMARK 500 GLU C 89 19.57 52.54 REMARK 500 ASP C 90 53.18 -91.25 REMARK 500 TRP E 46 -140.83 57.34 REMARK 500 SER F 80 102.67 -160.08 REMARK 500 ASN F 91 -10.44 77.12 REMARK 500 GLN F 127 167.31 63.56 REMARK 500 GLU F 159 -60.37 -93.06 REMARK 500 ASN F 190 -39.31 -36.93 REMARK 500 ASN F 221 -7.69 74.09 REMARK 500 GLU G 89 19.57 52.54 REMARK 500 ASP G 90 53.19 -91.25 REMARK 500 TRP H 46 -140.82 57.29 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-45811 RELATED DB: EMDB REMARK 900 G115 GAMMA DELTA TCR/CD3 COMPLEX BOUND BY OKT3 FAB DBREF 9CQ8 A 4 283 PDB 9CQ8 9CQ8 4 283 DBREF 9CQ8 B 4 297 PDB 9CQ8 9CQ8 4 297 DBREF 9CQ8 C 1 225 PDB 9CQ8 9CQ8 1 225 DBREF 9CQ8 E 1 213 PDB 9CQ8 9CQ8 1 213 DBREF 9CQ8 D 4 283 PDB 9CQ8 9CQ8 4 283 DBREF 9CQ8 F 4 297 PDB 9CQ8 9CQ8 4 297 DBREF 9CQ8 G 1 225 PDB 9CQ8 9CQ8 1 225 DBREF 9CQ8 H 1 213 PDB 9CQ8 9CQ8 1 213 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 225 GLN VAL GLN LEU GLN GLN SER GLY ALA GLU LEU VAL ARG SEQRES 2 C 225 PRO GLY ALA SER VAL THR LEU SER CYS LYS ALA SER GLY SEQRES 3 C 225 TYR THR PHE THR ASP TYR GLU VAL TYR TRP VAL LYS GLN SEQRES 4 C 225 THR PRO VAL HIS GLY LEU GLU TRP ILE GLY ALA ILE ASP SEQRES 5 C 225 PRO GLU THR GLY ARG THR ALA TYR ASN GLN LYS PHE LYS SEQRES 6 C 225 GLY LYS ALA ILE LEU THR THR ASP LYS SER SER SER THR SEQRES 7 C 225 ALA TYR MET ALA LEU ARG SER LEU THR SER GLU ASP SER SEQRES 8 C 225 ALA VAL TYR TYR CYS ALA ARG LEU LYS SER GLY ARG TYR SEQRES 9 C 225 TYR GLY ASP LEU PHE ALA TYR TRP GLY GLN GLY THR LEU SEQRES 10 C 225 VAL THR VAL SER ALA ALA LYS THR THR PRO PRO SER VAL SEQRES 11 C 225 TYR PRO LEU ALA PRO GLY SER ALA ALA GLN THR ASN SER SEQRES 12 C 225 MET VAL THR LEU GLY CYS LEU VAL LYS GLY TYR PHE PRO SEQRES 13 C 225 GLU PRO VAL THR VAL THR TRP ASN SER GLY SER LEU SER SEQRES 14 C 225 SER GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER ASP SEQRES 15 C 225 LEU TYR THR LEU SER SER SER VAL THR VAL PRO SER SER SEQRES 16 C 225 THR TRP PRO SER GLU THR VAL THR CYS ASN VAL ALA HIS SEQRES 17 C 225 PRO ALA SER SER THR LYS VAL ASP LYS LYS ILE VAL PRO SEQRES 18 C 225 ARG ASP CYS GLY SEQRES 1 E 213 GLN ILE VAL LEU THR GLN SER PRO ALA LEU MET SER ALA SEQRES 2 E 213 SER PRO GLY GLU LYS VAL THR MET THR CYS SER ALA SER SEQRES 3 E 213 SER SER VAL SER TYR MET TYR TRP TYR GLN GLN LYS PRO SEQRES 4 E 213 ARG SER SER PRO LYS PRO TRP ILE TYR PHE THR SER ASN SEQRES 5 E 213 LEU ALA SER GLY VAL PRO ALA ARG PHE SER GLY SER GLY SEQRES 6 E 213 SER GLY THR SER TYR SER LEU THR ILE SER SER MET GLU SEQRES 7 E 213 ALA GLU ASP ALA ALA THR TYR TYR CYS GLN GLN TRP SER SEQRES 8 E 213 SER ASN PRO LEU THR PHE GLY ALA GLY THR LYS LEU GLU SEQRES 9 E 213 LEU LYS ARG ALA ASP ALA ALA PRO THR VAL SER ILE PHE SEQRES 10 E 213 PRO PRO SER SER GLU GLN LEU THR SER GLY GLY ALA SER SEQRES 11 E 213 VAL VAL CYS PHE LEU ASN ASN PHE TYR PRO LYS ASP ILE SEQRES 12 E 213 ASN VAL LYS TRP LYS ILE ASP GLY SER GLU ARG GLN ASN SEQRES 13 E 213 GLY VAL LEU ASN SER TRP THR ASP GLN ASP SER LYS ASP SEQRES 14 E 213 SER THR TYR SER MET SER SER THR LEU THR LEU THR LYS SEQRES 15 E 213 ASP GLU TYR GLU ARG HIS ASN SER TYR THR CYS GLU ALA SEQRES 16 E 213 THR HIS LYS THR SER THR SER PRO ILE VAL LYS SER PHE SEQRES 17 E 213 ASN ARG GLY GLU CYS SEQRES 1 D 280 ALA GLN LYS VAL THR GLN ALA GLN SER SER VAL SER MET SEQRES 2 D 280 PRO VAL ARG LYS ALA VAL THR LEU ASN CYS LEU TYR GLU SEQRES 3 D 280 THR SER TRP TRP SER TYR TYR ILE PHE TRP TYR LYS GLN SEQRES 4 D 280 LEU PRO SER LYS GLU MET ILE PHE LEU ILE ARG GLN GLY SEQRES 5 D 280 SER ASP GLU GLN ASN ALA LYS SER GLY ARG TYR SER VAL SEQRES 6 D 280 ASN PHE LYS LYS ALA ALA LYS SER VAL ALA LEU THR ILE SEQRES 7 D 280 SER ALA LEU GLN LEU GLU ASP SER ALA LYS TYR PHE CYS SEQRES 8 D 280 ALA LEU GLY ASP PRO GLY GLY LEU ASN THR ASP LYS LEU SEQRES 9 D 280 ILE PHE GLY LYS GLY THR ARG VAL THR VAL GLU PRO ARG SEQRES 10 D 280 SER GLN PRO HIS THR LYS PRO SER VAL PHE VAL MET LYS SEQRES 11 D 280 ASN GLY THR ASN VAL ALA CYS LEU VAL LYS GLU PHE TYR SEQRES 12 D 280 PRO LYS ASP ILE ARG ILE ASN LEU VAL SER SER LYS LYS SEQRES 13 D 280 ILE THR GLU PHE ASP PRO ALA ILE VAL ILE SER PRO SER SEQRES 14 D 280 GLY LYS TYR ASN ALA VAL LYS LEU GLY LYS TYR GLU ASP SEQRES 15 D 280 SER ASN SER VAL THR CYS SER VAL GLN HIS ASP ASN LYS SEQRES 16 D 280 THR VAL HIS SER THR ASP PHE GLU VAL LYS THR ASP SER SEQRES 17 D 280 THR ASP HIS VAL LYS PRO LYS GLU THR GLU ASN THR LYS SEQRES 18 D 280 GLN PRO SER LYS SER CYS HIS LYS PRO LYS ALA ILE VAL SEQRES 19 D 280 HIS THR GLU LYS VAL ASN MET MET SER LEU THR VAL LEU SEQRES 20 D 280 GLY LEU ARG MET LEU PHE ALA LYS THR VAL ALA VAL ASN SEQRES 21 D 280 PHE LEU LEU THR ALA LYS LEU PHE PHE LEU SER ARG GLY SEQRES 22 D 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 G 225 GLN VAL GLN LEU GLN GLN SER GLY ALA GLU LEU VAL ARG SEQRES 2 G 225 PRO GLY ALA SER VAL THR LEU SER CYS LYS ALA SER GLY SEQRES 3 G 225 TYR THR PHE THR ASP TYR GLU VAL TYR TRP VAL LYS GLN SEQRES 4 G 225 THR PRO VAL HIS GLY LEU GLU TRP ILE GLY ALA ILE ASP SEQRES 5 G 225 PRO GLU THR GLY ARG THR ALA TYR ASN GLN LYS PHE LYS SEQRES 6 G 225 GLY LYS ALA ILE LEU THR THR ASP LYS SER SER SER THR SEQRES 7 G 225 ALA TYR MET ALA LEU ARG SER LEU THR SER GLU ASP SER SEQRES 8 G 225 ALA VAL TYR TYR CYS ALA ARG LEU LYS SER GLY ARG TYR SEQRES 9 G 225 TYR GLY ASP LEU PHE ALA TYR TRP GLY GLN GLY THR LEU SEQRES 10 G 225 VAL THR VAL SER ALA ALA LYS THR THR PRO PRO SER VAL SEQRES 11 G 225 TYR PRO LEU ALA PRO GLY SER ALA ALA GLN THR ASN SER SEQRES 12 G 225 MET VAL THR LEU GLY CYS LEU VAL LYS GLY TYR PHE PRO SEQRES 13 G 225 GLU PRO VAL THR VAL THR TRP ASN SER GLY SER LEU SER SEQRES 14 G 225 SER GLY VAL HIS THR PHE PRO ALA VAL LEU GLN SER ASP SEQRES 15 G 225 LEU TYR THR LEU SER SER SER VAL THR VAL PRO SER SER SEQRES 16 G 225 THR TRP PRO SER GLU THR VAL THR CYS ASN VAL ALA HIS SEQRES 17 G 225 PRO ALA SER SER THR LYS VAL ASP LYS LYS ILE VAL PRO SEQRES 18 G 225 ARG ASP CYS GLY SEQRES 1 H 213 GLN ILE VAL LEU THR GLN SER PRO ALA LEU MET SER ALA SEQRES 2 H 213 SER PRO GLY GLU LYS VAL THR MET THR CYS SER ALA SER SEQRES 3 H 213 SER SER VAL SER TYR MET TYR TRP TYR GLN GLN LYS PRO SEQRES 4 H 213 ARG SER SER PRO LYS PRO TRP ILE TYR PHE THR SER ASN SEQRES 5 H 213 LEU ALA SER GLY VAL PRO ALA ARG PHE SER GLY SER GLY SEQRES 6 H 213 SER GLY THR SER TYR SER LEU THR ILE SER SER MET GLU SEQRES 7 H 213 ALA GLU ASP ALA ALA THR TYR TYR CYS GLN GLN TRP SER SEQRES 8 H 213 SER ASN PRO LEU THR PHE GLY ALA GLY THR LYS LEU GLU SEQRES 9 H 213 LEU LYS ARG ALA ASP ALA ALA PRO THR VAL SER ILE PHE SEQRES 10 H 213 PRO PRO SER SER GLU GLN LEU THR SER GLY GLY ALA SER SEQRES 11 H 213 VAL VAL CYS PHE LEU ASN ASN PHE TYR PRO LYS ASP ILE SEQRES 12 H 213 ASN VAL LYS TRP LYS ILE ASP GLY SER GLU ARG GLN ASN SEQRES 13 H 213 GLY VAL LEU ASN SER TRP THR ASP GLN ASP SER LYS ASP SEQRES 14 H 213 SER THR TYR SER MET SER SER THR LEU THR LEU THR LYS SEQRES 15 H 213 ASP GLU TYR GLU ARG HIS ASN SER TYR THR CYS GLU ALA SEQRES 16 H 213 THR HIS LYS THR SER THR SER PRO ILE VAL LYS SER PHE SEQRES 17 H 213 ASN ARG GLY GLU CYS HET NAG I 1 14 HET NAG I 2 14 HET BMA I 3 11 HET NAG J 1 14 HET NAG J 2 14 HET BMA J 3 11 HET NAG K 1 14 HET NAG K 2 14 HET BMA K 3 11 HET NAG L 1 14 HET NAG L 2 14 HET BMA L 3 11 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 9 BMA 4(C6 H12 O6) HELIX 1 AA1 PRO B 202 LEU B 206 5 5 HELIX 2 AA2 ASN B 219 VAL B 223 5 5 HELIX 3 AA3 SER C 101 TYR C 104 5 4 HELIX 4 AA4 PRO F 202 LEU F 206 5 5 HELIX 5 AA5 ASN F 219 VAL F 223 5 5 HELIX 6 AA6 SER G 101 TYR G 104 5 4 SHEET 1 AA1 5 LYS A 6 THR A 8 0 SHEET 2 AA1 5 VAL A 22 GLU A 29 -1 O LEU A 27 N THR A 8 SHEET 3 AA1 5 SER A 76 ILE A 81 -1 O VAL A 77 N CYS A 26 SHEET 4 AA1 5 TYR A 66 LYS A 71 -1 N SER A 67 O THR A 80 SHEET 5 AA1 5 LYS A 62 SER A 63 -1 N SER A 63 O TYR A 66 SHEET 1 AA2 5 SER A 13 PRO A 17 0 SHEET 2 AA2 5 THR A 113 GLU A 118 1 O ARG A 114 N VAL A 14 SHEET 3 AA2 5 LYS A 91 GLY A 97 -1 N TYR A 92 O THR A 113 SHEET 4 AA2 5 TYR A 36 GLN A 42 -1 N PHE A 38 O ALA A 95 SHEET 5 AA2 5 MET A 48 GLY A 55 -1 O LEU A 51 N TRP A 39 SHEET 1 AA3 4 SER A 13 PRO A 17 0 SHEET 2 AA3 4 THR A 113 GLU A 118 1 O ARG A 114 N VAL A 14 SHEET 3 AA3 4 LYS A 91 GLY A 97 -1 N TYR A 92 O THR A 113 SHEET 4 AA3 4 LEU A 107 ILE A 108 -1 O ILE A 108 N LEU A 96 SHEET 1 AA4 4 SER A 128 ASN A 134 0 SHEET 2 AA4 4 ASN A 137 PHE A 145 -1 O ALA A 139 N MET A 132 SHEET 3 AA4 4 TYR A 175 VAL A 178 -1 O ALA A 177 N VAL A 142 SHEET 4 AA4 4 ALA A 166 ILE A 169 -1 N VAL A 168 O ASN A 176 SHEET 1 AA5 3 ASN A 153 VAL A 155 0 SHEET 2 AA5 3 THR A 190 GLN A 194 -1 O SER A 192 N ASN A 153 SHEET 3 AA5 3 THR A 199 HIS A 201 -1 O VAL A 200 N VAL A 193 SHEET 1 AA6 6 SER B 13 VAL B 14 0 SHEET 2 AA6 6 THR B 119 LEU B 121 1 O THR B 120 N VAL B 14 SHEET 3 AA6 6 GLY B 94 TRP B 101 -1 N GLY B 94 O LEU B 121 SHEET 4 AA6 6 TYR B 35 HIS B 41 -1 N HIS B 37 O ALA B 99 SHEET 5 AA6 6 GLN B 48 ASP B 54 -1 O LEU B 50 N TRP B 38 SHEET 6 AA6 6 ASP B 60 LEU B 62 -1 O VAL B 61 N TYR B 52 SHEET 1 AA7 4 SER B 13 VAL B 14 0 SHEET 2 AA7 4 THR B 119 LEU B 121 1 O THR B 120 N VAL B 14 SHEET 3 AA7 4 GLY B 94 TRP B 101 -1 N GLY B 94 O LEU B 121 SHEET 4 AA7 4 LYS B 113 PHE B 115 -1 O LEU B 114 N THR B 100 SHEET 1 AA8 3 ALA B 22 THR B 25 0 SHEET 2 AA8 3 ILE B 82 LEU B 85 -1 O LEU B 83 N ILE B 24 SHEET 3 AA8 3 TYR B 71 HIS B 74 -1 N TYR B 72 O ILE B 84 SHEET 1 AA9 3 THR B 153 PHE B 161 0 SHEET 2 AA9 3 THR B 192 THR B 200 -1 O LYS B 195 N LEU B 158 SHEET 3 AA9 3 GLN B 182 GLU B 183 -1 N GLN B 182 O TRP B 198 SHEET 1 AB1 3 THR B 153 PHE B 161 0 SHEET 2 AB1 3 THR B 192 THR B 200 -1 O LYS B 195 N LEU B 158 SHEET 3 AB1 3 MET B 187 THR B 189 -1 N MET B 187 O MET B 194 SHEET 1 AB2 3 LYS B 167 GLN B 171 0 SHEET 2 AB2 3 HIS B 210 ARG B 215 -1 O ILE B 213 N HIS B 169 SHEET 3 AB2 3 GLN B 225 PHE B 229 -1 O PHE B 229 N HIS B 210 SHEET 1 AB3 4 GLN C 3 GLN C 6 0 SHEET 2 AB3 4 VAL C 18 SER C 25 -1 O SER C 25 N GLN C 3 SHEET 3 AB3 4 THR C 78 LEU C 83 -1 O ALA C 79 N CYS C 22 SHEET 4 AB3 4 ILE C 69 ASP C 73 -1 N THR C 71 O TYR C 80 SHEET 1 AB4 6 GLU C 10 VAL C 12 0 SHEET 2 AB4 6 THR C 116 VAL C 120 1 O THR C 119 N VAL C 12 SHEET 3 AB4 6 ALA C 92 LEU C 99 -1 N ALA C 92 O VAL C 118 SHEET 4 AB4 6 VAL C 34 THR C 40 -1 N GLN C 39 O VAL C 93 SHEET 5 AB4 6 GLY C 44 ILE C 51 -1 O GLY C 44 N THR C 40 SHEET 6 AB4 6 PHE C 109 TRP C 112 0 SHEET 1 AB5 5 THR C 58 TYR C 60 0 SHEET 2 AB5 5 GLY C 44 ILE C 51 -1 N ALA C 50 O ALA C 59 SHEET 3 AB5 5 VAL C 34 THR C 40 -1 N THR C 40 O GLY C 44 SHEET 4 AB5 5 ALA C 92 LEU C 99 -1 O VAL C 93 N GLN C 39 SHEET 5 AB5 5 THR E 96 GLY E 98 0 SHEET 1 AB6 2 LEU E 10 MET E 11 0 SHEET 2 AB6 2 LYS E 102 LEU E 103 1 O LYS E 102 N MET E 11 SHEET 1 AB7 3 VAL E 19 CYS E 23 0 SHEET 2 AB7 3 TYR E 70 ILE E 74 -1 O TYR E 70 N CYS E 23 SHEET 3 AB7 3 SER E 62 SER E 64 -1 N SER E 64 O SER E 71 SHEET 1 AB8 2 TYR E 33 TYR E 35 0 SHEET 2 AB8 2 TYR E 86 GLN E 88 -1 O GLN E 88 N TYR E 33 SHEET 1 AB9 5 LYS D 6 THR D 8 0 SHEET 2 AB9 5 VAL D 22 GLU D 29 -1 O LEU D 27 N THR D 8 SHEET 3 AB9 5 SER D 76 ILE D 81 -1 O VAL D 77 N CYS D 26 SHEET 4 AB9 5 TYR D 66 LYS D 71 -1 N SER D 67 O THR D 80 SHEET 5 AB9 5 LYS D 62 SER D 63 -1 N SER D 63 O TYR D 66 SHEET 1 AC1 5 SER D 13 PRO D 17 0 SHEET 2 AC1 5 THR D 113 GLU D 118 1 O ARG D 114 N VAL D 14 SHEET 3 AC1 5 LYS D 91 GLY D 97 -1 N TYR D 92 O THR D 113 SHEET 4 AC1 5 TYR D 36 GLN D 42 -1 N PHE D 38 O ALA D 95 SHEET 5 AC1 5 MET D 48 GLY D 55 -1 O LEU D 51 N TRP D 39 SHEET 1 AC2 4 SER D 13 PRO D 17 0 SHEET 2 AC2 4 THR D 113 GLU D 118 1 O ARG D 114 N VAL D 14 SHEET 3 AC2 4 LYS D 91 GLY D 97 -1 N TYR D 92 O THR D 113 SHEET 4 AC2 4 LEU D 107 ILE D 108 -1 O ILE D 108 N LEU D 96 SHEET 1 AC3 4 SER D 128 ASN D 134 0 SHEET 2 AC3 4 ASN D 137 PHE D 145 -1 O ALA D 139 N MET D 132 SHEET 3 AC3 4 TYR D 175 VAL D 178 -1 O ALA D 177 N VAL D 142 SHEET 4 AC3 4 ALA D 166 ILE D 169 -1 N VAL D 168 O ASN D 176 SHEET 1 AC4 3 ASN D 153 VAL D 155 0 SHEET 2 AC4 3 THR D 190 GLN D 194 -1 O SER D 192 N ASN D 153 SHEET 3 AC4 3 THR D 199 HIS D 201 -1 O VAL D 200 N VAL D 193 SHEET 1 AC5 6 SER F 13 VAL F 14 0 SHEET 2 AC5 6 THR F 119 LEU F 121 1 O THR F 120 N VAL F 14 SHEET 3 AC5 6 GLY F 94 TRP F 101 -1 N GLY F 94 O LEU F 121 SHEET 4 AC5 6 TYR F 35 HIS F 41 -1 N HIS F 37 O ALA F 99 SHEET 5 AC5 6 GLN F 48 ASP F 54 -1 O LEU F 50 N TRP F 38 SHEET 6 AC5 6 ASP F 60 LEU F 62 -1 O VAL F 61 N TYR F 52 SHEET 1 AC6 4 SER F 13 VAL F 14 0 SHEET 2 AC6 4 THR F 119 LEU F 121 1 O THR F 120 N VAL F 14 SHEET 3 AC6 4 GLY F 94 TRP F 101 -1 N GLY F 94 O LEU F 121 SHEET 4 AC6 4 LYS F 113 PHE F 115 -1 O LEU F 114 N THR F 100 SHEET 1 AC7 3 ALA F 22 THR F 25 0 SHEET 2 AC7 3 ILE F 82 LEU F 85 -1 O LEU F 83 N ILE F 24 SHEET 3 AC7 3 TYR F 71 HIS F 74 -1 N TYR F 72 O ILE F 84 SHEET 1 AC8 3 THR F 153 PHE F 161 0 SHEET 2 AC8 3 THR F 192 THR F 200 -1 O LYS F 195 N LEU F 158 SHEET 3 AC8 3 GLN F 182 GLU F 183 -1 N GLN F 182 O TRP F 198 SHEET 1 AC9 3 THR F 153 PHE F 161 0 SHEET 2 AC9 3 THR F 192 THR F 200 -1 O LYS F 195 N LEU F 158 SHEET 3 AC9 3 MET F 187 THR F 189 -1 N MET F 187 O MET F 194 SHEET 1 AD1 3 LYS F 167 GLN F 171 0 SHEET 2 AD1 3 HIS F 210 ARG F 215 -1 O ILE F 213 N HIS F 169 SHEET 3 AD1 3 GLN F 225 PHE F 229 -1 O PHE F 229 N HIS F 210 SHEET 1 AD2 4 GLN G 3 GLN G 6 0 SHEET 2 AD2 4 VAL G 18 SER G 25 -1 O SER G 25 N GLN G 3 SHEET 3 AD2 4 THR G 78 LEU G 83 -1 O ALA G 79 N CYS G 22 SHEET 4 AD2 4 ILE G 69 ASP G 73 -1 N THR G 71 O TYR G 80 SHEET 1 AD3 6 GLU G 10 VAL G 12 0 SHEET 2 AD3 6 THR G 116 VAL G 120 1 O THR G 119 N VAL G 12 SHEET 3 AD3 6 ALA G 92 LEU G 99 -1 N ALA G 92 O VAL G 118 SHEET 4 AD3 6 VAL G 34 THR G 40 -1 N GLN G 39 O VAL G 93 SHEET 5 AD3 6 GLY G 44 ILE G 51 -1 O GLY G 44 N THR G 40 SHEET 6 AD3 6 PHE G 109 TRP G 112 0 SHEET 1 AD4 5 THR G 58 TYR G 60 0 SHEET 2 AD4 5 GLY G 44 ILE G 51 -1 N ALA G 50 O ALA G 59 SHEET 3 AD4 5 VAL G 34 THR G 40 -1 N THR G 40 O GLY G 44 SHEET 4 AD4 5 ALA G 92 LEU G 99 -1 O VAL G 93 N GLN G 39 SHEET 5 AD4 5 THR H 96 GLY H 98 0 SHEET 1 AD5 2 LEU H 10 MET H 11 0 SHEET 2 AD5 2 LYS H 102 LEU H 103 1 O LYS H 102 N MET H 11 SHEET 1 AD6 3 VAL H 19 CYS H 23 0 SHEET 2 AD6 3 TYR H 70 ILE H 74 -1 O TYR H 70 N CYS H 23 SHEET 3 AD6 3 SER H 62 SER H 64 -1 N SER H 64 O SER H 71 SHEET 1 AD7 2 TYR H 33 TYR H 35 0 SHEET 2 AD7 2 TYR H 86 GLN H 88 -1 O GLN H 88 N TYR H 33 SSBOND 1 CYS A 26 CYS A 94 1555 1555 2.03 SSBOND 2 CYS A 140 CYS A 191 1555 1555 2.03 SSBOND 3 CYS B 26 CYS B 98 1555 1555 2.03 SSBOND 4 CYS B 156 CYS B 212 1555 1555 2.03 SSBOND 5 CYS C 22 CYS C 96 1555 1555 2.03 SSBOND 6 CYS E 23 CYS E 87 1555 1555 2.03 SSBOND 7 CYS D 26 CYS D 94 1555 1555 2.03 SSBOND 8 CYS D 140 CYS D 191 1555 1555 2.03 SSBOND 9 CYS F 26 CYS F 98 1555 1555 2.03 SSBOND 10 CYS F 156 CYS F 212 1555 1555 2.03 SSBOND 11 CYS G 22 CYS G 96 1555 1555 2.03 SSBOND 12 CYS H 23 CYS H 87 1555 1555 2.03 LINK ND2 ASN A 134 C1 NAG I 1 1555 1555 1.44 LINK ND2 ASN B 190 C1 NAG J 1 1555 1555 1.44 LINK ND2 ASN D 134 C1 NAG K 1 1555 1555 1.44 LINK ND2 ASN F 190 C1 NAG L 1 1555 1555 1.44 LINK O4 NAG I 1 C1 NAG I 2 1555 1555 1.44 LINK O4 NAG I 2 C1 BMA I 3 1555 1555 1.45 LINK O4 NAG J 1 C1 NAG J 2 1555 1555 1.45 LINK O4 NAG J 2 C1 BMA J 3 1555 1555 1.45 LINK O4 NAG K 1 C1 NAG K 2 1555 1555 1.44 LINK O4 NAG K 2 C1 BMA K 3 1555 1555 1.45 LINK O4 NAG L 1 C1 NAG L 2 1555 1555 1.45 LINK O4 NAG L 2 C1 BMA L 3 1555 1555 1.45 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