HEADER IMMUNE SYSTEM 31-DEC-24 9MPW TITLE SARS-COV2 SPIKE S2 SUBUNIT IN COMPLEX WITH M15 ANTIBODY FRAGMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: SPIKE PROTEIN S2; COMPND 3 CHAIN: S; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: FAB M15 HEAVY CHAIN; COMPND 7 CHAIN: H; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: FAB M15 LIGHT CHAIN; COMPND 11 CHAIN: L; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS SOURCE 3 2; SOURCE 4 ORGANISM_COMMON: 2019-NCOV, SARS-COV-2; SOURCE 5 ORGANISM_TAXID: 2697049; SOURCE 6 GENE: S, 2; SOURCE 7 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 8 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 10 EXPRESSION_SYSTEM_CELL_LINE: EXPI293; SOURCE 11 MOL_ID: 2; SOURCE 12 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 13 ORGANISM_COMMON: HUMAN; SOURCE 14 ORGANISM_TAXID: 9606; SOURCE 15 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 16 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 17 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 18 EXPRESSION_SYSTEM_CELL_LINE: EXPI293; SOURCE 19 MOL_ID: 3; SOURCE 20 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 21 ORGANISM_COMMON: HUMAN; SOURCE 22 ORGANISM_TAXID: 9606; SOURCE 23 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 24 EXPRESSION_SYSTEM_COMMON: HUMAN; SOURCE 25 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 26 EXPRESSION_SYSTEM_CELL_LINE: EXPI293 KEYWDS ANTIBODY, AFFINITY MATURATION, SARS, FAB, IMMUNE SYSTEM EXPDTA ELECTRON MICROSCOPY AUTHOR I.A.SAPSE,G.BAJIC REVDAT 1 09-JUL-25 9MPW 0 JRNL AUTH I.A.SAPSE,G.BAJIC JRNL TITL SARS-COV2 SPIKE S2 SUBUNIT IN COMPLEX WITH M15 ANTIBODY JRNL TITL 2 FRAGMENT JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 3.37 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : CRYOSPARC, PHENIX, CRYOSPARC, CRYOSPARC 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) : 3.370 REMARK 3 NUMBER OF PARTICLES : 40986 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 9MPW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JAN-25. REMARK 100 THE DEPOSITION ID IS D_1000291273. 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 : SARS-COV2 SPIKE S2 TRIMER IN REMARK 245 COMPLEX WITH FAB M15 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 : 7.50 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 : TFS KRIOS REMARK 245 DETECTOR TYPE : FEI FALCON IV (4K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 450.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 20000.00 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) : 5764.00 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: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: S, H, L, A 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 MET S 654 REMARK 465 GLY S 655 REMARK 465 ILE S 656 REMARK 465 LEU S 657 REMARK 465 PRO S 658 REMARK 465 SER S 659 REMARK 465 PRO S 660 REMARK 465 GLY S 661 REMARK 465 MET S 662 REMARK 465 PRO S 663 REMARK 465 ALA S 664 REMARK 465 LEU S 665 REMARK 465 LEU S 666 REMARK 465 SER S 667 REMARK 465 LEU S 668 REMARK 465 VAL S 669 REMARK 465 SER S 670 REMARK 465 LEU S 671 REMARK 465 LEU S 672 REMARK 465 SER S 673 REMARK 465 VAL S 674 REMARK 465 LEU S 675 REMARK 465 LEU S 676 REMARK 465 MET S 677 REMARK 465 GLY S 678 REMARK 465 CYS S 679 REMARK 465 VAL S 680 REMARK 465 ALA S 681 REMARK 465 GLU S 682 REMARK 465 THR S 683 REMARK 465 GLY S 684 REMARK 465 THR S 685 REMARK 465 SER S 686 REMARK 465 VAL S 687 REMARK 465 ALA S 688 REMARK 465 SER S 689 REMARK 465 GLN S 690 REMARK 465 SER S 691 REMARK 465 ILE S 692 REMARK 465 ILE S 693 REMARK 465 ALA S 694 REMARK 465 TYR S 695 REMARK 465 THR S 696 REMARK 465 MET S 697 REMARK 465 SER S 698 REMARK 465 LEU S 699 REMARK 465 GLY S 700 REMARK 465 ALA S 701 REMARK 465 GLU S 702 REMARK 465 ASN S 703 REMARK 465 SER S 704 REMARK 465 VAL S 705 REMARK 465 ALA S 706 REMARK 465 CYS S 707 REMARK 465 ILE S 788 REMARK 465 TYR S 789 REMARK 465 LYS S 790 REMARK 465 THR S 791 REMARK 465 PRO S 792 REMARK 465 PRO S 793 REMARK 465 ILE S 794 REMARK 465 LYS S 795 REMARK 465 ASP S 796 REMARK 465 SER S 810 REMARK 465 LYS S 811 REMARK 465 PRO S 812 REMARK 465 CYS S 883 REMARK 465 SER S 884 REMARK 465 GLY S 885 REMARK 465 TRP S 886 REMARK 465 THR S 887 REMARK 465 PHE S 888 REMARK 465 GLY S 889 REMARK 465 ALA S 890 REMARK 465 GLY S 891 REMARK 465 PRO S 892 REMARK 465 ALA S 893 REMARK 465 LEU S 894 REMARK 465 LEU S 977 REMARK 465 ASN S 978 REMARK 465 ASP S 979 REMARK 465 ILE S 980 REMARK 465 LEU S 981 REMARK 465 SER S 982 REMARK 465 ARG S 983 REMARK 465 LEU S 984 REMARK 465 ASP S 985 REMARK 465 LYS S 986 REMARK 465 PRO S 987 REMARK 465 LEU S 1145 REMARK 465 ASP S 1146 REMARK 465 SER S 1147 REMARK 465 PHE S 1148 REMARK 465 LYS S 1149 REMARK 465 GLU S 1150 REMARK 465 GLU S 1151 REMARK 465 LEU S 1152 REMARK 465 ASP S 1153 REMARK 465 LYS S 1154 REMARK 465 TYR S 1155 REMARK 465 PHE S 1156 REMARK 465 LYS S 1157 REMARK 465 ASN S 1158 REMARK 465 HIS S 1159 REMARK 465 THR S 1160 REMARK 465 SER S 1161 REMARK 465 PRO S 1162 REMARK 465 ASP S 1163 REMARK 465 VAL S 1164 REMARK 465 ASP S 1165 REMARK 465 LEU S 1166 REMARK 465 GLY S 1167 REMARK 465 ASP S 1168 REMARK 465 ILE S 1169 REMARK 465 SER S 1170 REMARK 465 GLY S 1171 REMARK 465 ILE S 1172 REMARK 465 ASN S 1173 REMARK 465 ALA S 1174 REMARK 465 SER S 1175 REMARK 465 VAL S 1176 REMARK 465 VAL S 1177 REMARK 465 ASN S 1178 REMARK 465 ILE S 1179 REMARK 465 GLN S 1180 REMARK 465 LYS S 1181 REMARK 465 GLU S 1182 REMARK 465 ILE S 1183 REMARK 465 ASP S 1184 REMARK 465 ARG S 1185 REMARK 465 LEU S 1186 REMARK 465 ASN S 1187 REMARK 465 GLU S 1188 REMARK 465 VAL S 1189 REMARK 465 ALA S 1190 REMARK 465 LYS S 1191 REMARK 465 ASN S 1192 REMARK 465 LEU S 1193 REMARK 465 ASN S 1194 REMARK 465 GLU S 1195 REMARK 465 SER S 1196 REMARK 465 LEU S 1197 REMARK 465 ILE S 1198 REMARK 465 ASP S 1199 REMARK 465 LEU S 1200 REMARK 465 GLN S 1201 REMARK 465 GLU S 1202 REMARK 465 LEU S 1203 REMARK 465 GLY S 1204 REMARK 465 LYS S 1205 REMARK 465 TYR S 1206 REMARK 465 GLU S 1207 REMARK 465 GLN S 1208 REMARK 465 GLY S 1209 REMARK 465 SER S 1210 REMARK 465 GLY S 1211 REMARK 465 TYR S 1212 REMARK 465 ILE S 1213 REMARK 465 PRO S 1214 REMARK 465 GLU S 1215 REMARK 465 ALA S 1216 REMARK 465 PRO S 1217 REMARK 465 ARG S 1218 REMARK 465 ASP S 1219 REMARK 465 GLY S 1220 REMARK 465 GLN S 1221 REMARK 465 ALA S 1222 REMARK 465 TYR S 1223 REMARK 465 VAL S 1224 REMARK 465 ARG S 1225 REMARK 465 LYS S 1226 REMARK 465 ASP S 1227 REMARK 465 GLY S 1228 REMARK 465 GLU S 1229 REMARK 465 TRP S 1230 REMARK 465 VAL S 1231 REMARK 465 LEU S 1232 REMARK 465 LEU S 1233 REMARK 465 SER S 1234 REMARK 465 THR S 1235 REMARK 465 PHE S 1236 REMARK 465 LEU S 1237 REMARK 465 GLY S 1238 REMARK 465 ARG S 1239 REMARK 465 SER S 1240 REMARK 465 LEU S 1241 REMARK 465 GLU S 1242 REMARK 465 VAL S 1243 REMARK 465 LEU S 1244 REMARK 465 PHE S 1245 REMARK 465 GLN S 1246 REMARK 465 GLY S 1247 REMARK 465 PRO S 1248 REMARK 465 GLY S 1249 REMARK 465 SER S 1250 REMARK 465 GLY S 1251 REMARK 465 GLY S 1252 REMARK 465 LEU S 1253 REMARK 465 ASN S 1254 REMARK 465 ASP S 1255 REMARK 465 ILE S 1256 REMARK 465 PHE S 1257 REMARK 465 GLU S 1258 REMARK 465 ALA S 1259 REMARK 465 GLN S 1260 REMARK 465 LYS S 1261 REMARK 465 ILE S 1262 REMARK 465 GLU S 1263 REMARK 465 TRP S 1264 REMARK 465 HIS S 1265 REMARK 465 GLU S 1266 REMARK 465 GLY S 1267 REMARK 465 SER S 1268 REMARK 465 GLY S 1269 REMARK 465 HIS S 1270 REMARK 465 HIS S 1271 REMARK 465 HIS S 1272 REMARK 465 HIS S 1273 REMARK 465 HIS S 1274 REMARK 465 HIS S 1275 REMARK 465 HIS S 1276 REMARK 465 HIS S 1277 REMARK 465 LYS H 128 REMARK 465 SER H 129 REMARK 465 THR H 130 REMARK 465 SER H 131 REMARK 465 GLY H 132 REMARK 465 GLY H 133 REMARK 465 GLU H 211 REMARK 465 PRO H 212 REMARK 465 LYS H 213 REMARK 465 SER H 214 REMARK 465 CYS H 215 REMARK 465 ASP H 216 REMARK 465 LYS H 217 REMARK 465 GLY L 213 REMARK 465 GLU L 214 REMARK 465 CYS L 215 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLN S 853 CG CD OE1 NE2 REMARK 470 GLU S 988 CG CD OE1 OE2 REMARK 470 GLU S 990 CG CD OE1 OE2 REMARK 470 ASN S1125 CG OD1 ND2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LEU H 63 CA - CB - CG ANGL. DEV. = 14.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 THR S 739 15.86 56.13 REMARK 500 MET S 740 -36.86 -130.48 REMARK 500 PHE S 802 15.84 58.85 REMARK 500 SER S 943 -99.87 54.38 REMARK 500 GLU H 16 -168.48 -127.14 REMARK 500 ILE H 48 -61.48 -91.62 REMARK 500 PRO H 61 40.12 -79.50 REMARK 500 ASN H 76 13.10 -141.38 REMARK 500 ASP H 143 66.87 61.52 REMARK 500 ALA L 51 -150.77 54.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-48507 RELATED DB: EMDB REMARK 900 SARS-COV2 SPIKE S2 SUBUNIT IN COMPLEX WITH M15 ANTIBODY FRAGMENT DBREF 9MPW S 686 1208 UNP P0DTC2 SPIKE_SARS2 686 1208 DBREF 9MPW H 1 217 PDB 9MPW 9MPW 1 217 DBREF 9MPW L 1 215 PDB 9MPW 9MPW 1 215 SEQADV 9MPW MET S 654 UNP P0DTC2 INITIATING METHIONINE SEQADV 9MPW GLY S 655 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ILE S 656 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 657 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PRO S 658 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 659 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PRO S 660 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 661 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW MET S 662 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PRO S 663 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ALA S 664 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 665 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 666 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 667 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 668 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW VAL S 669 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 670 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 671 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 672 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 673 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW VAL S 674 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 675 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 676 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW MET S 677 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 678 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW CYS S 679 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW VAL S 680 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ALA S 681 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLU S 682 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW THR S 683 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 684 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW THR S 685 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW CYS S 707 UNP P0DTC2 TYR 707 CONFLICT SEQADV 9MPW CYS S 883 UNP P0DTC2 THR 883 CONFLICT SEQADV 9MPW PRO S 892 UNP P0DTC2 ALA 892 CONFLICT SEQADV 9MPW PRO S 899 UNP P0DTC2 ALA 899 CONFLICT SEQADV 9MPW GLU S 907 UNP P0DTC2 ASN 907 CONFLICT SEQADV 9MPW PRO S 942 UNP P0DTC2 ALA 942 CONFLICT SEQADV 9MPW PHE S 961 UNP P0DTC2 THR 961 CONFLICT SEQADV 9MPW CYS S 970 UNP P0DTC2 PHE 970 CONFLICT SEQADV 9MPW PRO S 987 UNP P0DTC2 VAL 987 CONFLICT SEQADV 9MPW GLN S 994 UNP P0DTC2 ASP 994 CONFLICT SEQADV 9MPW CYS S 999 UNP P0DTC2 GLY 999 CONFLICT SEQADV 9MPW MET S 1011 UNP P0DTC2 GLN 1011 CONFLICT SEQADV 9MPW TYR S 1018 UNP P0DTC2 ILE 1018 CONFLICT SEQADV 9MPW GLY S 1209 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 1210 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1211 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW TYR S 1212 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ILE S 1213 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PRO S 1214 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLU S 1215 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ALA S 1216 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PRO S 1217 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ARG S 1218 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ASP S 1219 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1220 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLN S 1221 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ALA S 1222 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW TYR S 1223 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW VAL S 1224 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ARG S 1225 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LYS S 1226 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ASP S 1227 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1228 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLU S 1229 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW TRP S 1230 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW VAL S 1231 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 1232 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 1233 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 1234 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW THR S 1235 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PHE S 1236 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 1237 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1238 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ARG S 1239 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 1240 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 1241 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLU S 1242 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW VAL S 1243 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 1244 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PHE S 1245 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLN S 1246 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1247 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PRO S 1248 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1249 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 1250 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1251 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1252 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LEU S 1253 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ASN S 1254 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ASP S 1255 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ILE S 1256 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW PHE S 1257 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLU S 1258 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ALA S 1259 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLN S 1260 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW LYS S 1261 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW ILE S 1262 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLU S 1263 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW TRP S 1264 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1265 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLU S 1266 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1267 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW SER S 1268 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW GLY S 1269 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1270 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1271 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1272 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1273 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1274 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1275 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1276 UNP P0DTC2 EXPRESSION TAG SEQADV 9MPW HIS S 1277 UNP P0DTC2 EXPRESSION TAG SEQRES 1 S 624 MET GLY ILE LEU PRO SER PRO GLY MET PRO ALA LEU LEU SEQRES 2 S 624 SER LEU VAL SER LEU LEU SER VAL LEU LEU MET GLY CYS SEQRES 3 S 624 VAL ALA GLU THR GLY THR SER VAL ALA SER GLN SER ILE SEQRES 4 S 624 ILE ALA TYR THR MET SER LEU GLY ALA GLU ASN SER VAL SEQRES 5 S 624 ALA CYS SER ASN ASN SER ILE ALA ILE PRO THR ASN PHE SEQRES 6 S 624 THR ILE SER VAL THR THR GLU ILE LEU PRO VAL SER MET SEQRES 7 S 624 THR LYS THR SER VAL ASP CYS THR MET TYR ILE CYS GLY SEQRES 8 S 624 ASP SER THR GLU CYS SER ASN LEU LEU LEU GLN TYR GLY SEQRES 9 S 624 SER PHE CYS THR GLN LEU ASN ARG ALA LEU THR GLY ILE SEQRES 10 S 624 ALA VAL GLU GLN ASP LYS ASN THR GLN GLU VAL PHE ALA SEQRES 11 S 624 GLN VAL LYS GLN ILE TYR LYS THR PRO PRO ILE LYS ASP SEQRES 12 S 624 PHE GLY GLY PHE ASN PHE SER GLN ILE LEU PRO ASP PRO SEQRES 13 S 624 SER LYS PRO SER LYS ARG SER PHE ILE GLU ASP LEU LEU SEQRES 14 S 624 PHE ASN LYS VAL THR LEU ALA ASP ALA GLY PHE ILE LYS SEQRES 15 S 624 GLN TYR GLY ASP CYS LEU GLY ASP ILE ALA ALA ARG ASP SEQRES 16 S 624 LEU ILE CYS ALA GLN LYS PHE ASN GLY LEU THR VAL LEU SEQRES 17 S 624 PRO PRO LEU LEU THR ASP GLU MET ILE ALA GLN TYR THR SEQRES 18 S 624 SER ALA LEU LEU ALA GLY THR ILE CYS SER GLY TRP THR SEQRES 19 S 624 PHE GLY ALA GLY PRO ALA LEU GLN ILE PRO PHE PRO MET SEQRES 20 S 624 GLN MET ALA TYR ARG PHE GLU GLY ILE GLY VAL THR GLN SEQRES 21 S 624 ASN VAL LEU TYR GLU ASN GLN LYS LEU ILE ALA ASN GLN SEQRES 22 S 624 PHE ASN SER ALA ILE GLY LYS ILE GLN ASP SER LEU SER SEQRES 23 S 624 SER THR PRO SER ALA LEU GLY LYS LEU GLN ASP VAL VAL SEQRES 24 S 624 ASN GLN ASN ALA GLN ALA LEU ASN PHE LEU VAL LYS GLN SEQRES 25 S 624 LEU SER SER ASN CYS GLY ALA ILE SER SER VAL LEU ASN SEQRES 26 S 624 ASP ILE LEU SER ARG LEU ASP LYS PRO GLU ALA GLU VAL SEQRES 27 S 624 GLN ILE GLN ARG LEU ILE THR CYS ARG LEU GLN SER LEU SEQRES 28 S 624 GLN THR TYR VAL THR GLN MET LEU ILE ARG ALA ALA GLU SEQRES 29 S 624 TYR ARG ALA SER ALA ASN LEU ALA ALA THR LYS MET SER SEQRES 30 S 624 GLU CYS VAL LEU GLY GLN SER LYS ARG VAL ASP PHE CYS SEQRES 31 S 624 GLY LYS GLY TYR HIS LEU MET SER PHE PRO GLN SER ALA SEQRES 32 S 624 PRO HIS GLY VAL VAL PHE LEU HIS VAL THR TYR VAL PRO SEQRES 33 S 624 ALA GLN GLU LYS ASN PHE THR THR ALA PRO ALA ILE CYS SEQRES 34 S 624 HIS ASP GLY LYS ALA HIS PHE PRO ARG GLU GLY VAL PHE SEQRES 35 S 624 VAL SER ASN GLY THR HIS TRP PHE VAL THR GLN ARG ASN SEQRES 36 S 624 PHE TYR GLU PRO GLN ILE ILE THR THR ASP ASN THR PHE SEQRES 37 S 624 VAL SER GLY ASN CYS ASP VAL VAL ILE GLY ILE VAL ASN SEQRES 38 S 624 ASN THR VAL TYR ASP PRO LEU GLN PRO GLU LEU ASP SER SEQRES 39 S 624 PHE LYS GLU GLU LEU ASP LYS TYR PHE LYS ASN HIS THR SEQRES 40 S 624 SER PRO ASP VAL ASP LEU GLY ASP ILE SER GLY ILE ASN SEQRES 41 S 624 ALA SER VAL VAL ASN ILE GLN LYS GLU ILE ASP ARG LEU SEQRES 42 S 624 ASN GLU VAL ALA LYS ASN LEU ASN GLU SER LEU ILE ASP SEQRES 43 S 624 LEU GLN GLU LEU GLY LYS TYR GLU GLN GLY SER GLY TYR SEQRES 44 S 624 ILE PRO GLU ALA PRO ARG ASP GLY GLN ALA TYR VAL ARG SEQRES 45 S 624 LYS ASP GLY GLU TRP VAL LEU LEU SER THR PHE LEU GLY SEQRES 46 S 624 ARG SER LEU GLU VAL LEU PHE GLN GLY PRO GLY SER GLY SEQRES 47 S 624 GLY LEU ASN ASP ILE PHE GLU ALA GLN LYS ILE GLU TRP SEQRES 48 S 624 HIS GLU GLY SER GLY HIS HIS HIS HIS HIS HIS HIS HIS SEQRES 1 H 217 GLN VAL GLN LEU ARG GLU SER GLY PRO GLY LEU VAL LYS SEQRES 2 H 217 PRO SER GLU THR LEU SER LEU THR CYS THR VAL SER GLY SEQRES 3 H 217 GLY SER THR SER GLY TYR TYR TRP SER TRP ILE ARG GLN SEQRES 4 H 217 PRO PRO GLY LYS GLY LEU GLU TRP ILE GLY TYR ILE TYR SEQRES 5 H 217 ASP ILE GLY SER THR ASN TYR ASN PRO SER LEU LYS SER SEQRES 6 H 217 ARG VAL THR ILE SER VAL SER THR SER LYS ASN GLN PHE SEQRES 7 H 217 SER LEU ASN LEU THR SER VAL THR ALA ALA ASP THR ALA SEQRES 8 H 217 VAL TYR TYR CYS ALA ARG GLY PHE ASP SER TRP GLY GLN SEQRES 9 H 217 GLY THR LEU VAL THR VAL SER SER ALA SER THR LYS GLY SEQRES 10 H 217 PRO SER VAL PHE PRO LEU ALA PRO SER SER LYS SER THR SEQRES 11 H 217 SER GLY GLY THR ALA ALA LEU GLY CYS LEU VAL LYS ASP SEQRES 12 H 217 TYR PHE PRO GLU PRO VAL THR VAL SER TRP ASN SER GLY SEQRES 13 H 217 ALA LEU THR SER GLY VAL HIS THR PHE PRO ALA VAL LEU SEQRES 14 H 217 GLN SER SER GLY LEU TYR SER LEU SER SER VAL VAL THR SEQRES 15 H 217 VAL PRO SER SER SER LEU GLY THR GLN THR TYR ILE CYS SEQRES 16 H 217 ASN VAL ASN HIS LYS PRO SER ASN THR LYS VAL ASP LYS SEQRES 17 H 217 ARG VAL GLU PRO LYS SER CYS ASP LYS SEQRES 1 L 215 GLU ILE VAL LEU THR GLN SER PRO GLY THR LEU SER LEU SEQRES 2 L 215 SER PRO GLY GLU ARG ALA THR LEU SER CYS ARG ALA SER SEQRES 3 L 215 GLN SER VAL SER SER ILE TYR LEU ALA TRP TYR GLN GLN SEQRES 4 L 215 LYS PRO GLY GLN ALA PRO ARG LEU LEU ILE PHE ALA ALA SEQRES 5 L 215 SER SER ARG ALA ILE GLY ILE PRO ASP ARG PHE SER GLY SEQRES 6 L 215 SER GLY SER GLY THR ASP PHE THR LEU THR ILE SER ARG SEQRES 7 L 215 LEU GLU ALA GLU ASP PHE ALA VAL TYR TYR CYS HIS GLN SEQRES 8 L 215 TYR GLY SER SER PRO TRP THR PHE GLY GLN GLY THR LYS SEQRES 9 L 215 VAL GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE SEQRES 10 L 215 ILE PHE PRO PRO SER ASP GLU GLN LEU LYS SER GLY THR SEQRES 11 L 215 ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG SEQRES 12 L 215 GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN SEQRES 13 L 215 SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER SEQRES 14 L 215 LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU SEQRES 15 L 215 SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS SEQRES 16 L 215 GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS SEQRES 17 L 215 SER PHE ASN ARG GLY GLU CYS HET NAG A 1 14 HET NAG A 2 14 HET NAG S1301 14 HET NAG S1302 14 HET NAG S1303 14 HET NAG S1304 14 HET NAG H 301 14 HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE 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 FORMUL 4 NAG 7(C8 H15 N O6) HELIX 1 AA1 SER S 750 TYR S 756 1 7 HELIX 2 AA2 GLY S 757 ALA S 783 1 27 HELIX 3 AA3 ILE S 818 THR S 827 1 10 HELIX 4 AA4 GLY S 832 GLY S 842 1 11 HELIX 5 AA5 ILE S 844 ALA S 846 5 3 HELIX 6 AA6 ARG S 847 ALA S 852 1 6 HELIX 7 AA7 THR S 866 LEU S 878 1 13 HELIX 8 AA8 PRO S 897 GLY S 910 1 14 HELIX 9 AA9 THR S 912 ASN S 919 1 8 HELIX 10 AB1 ASN S 919 SER S 940 1 22 HELIX 11 AB2 LEU S 948 SER S 968 1 21 HELIX 12 AB3 ALA S 989 GLU S 1031 1 43 HELIX 13 AB4 LEU H 63 SER H 65 5 3 HELIX 14 AB5 THR H 86 THR H 90 5 5 HELIX 15 AB6 SER H 155 ALA H 157 5 3 HELIX 16 AB7 PRO H 184 LEU H 188 5 5 HELIX 17 AB8 GLU L 80 PHE L 84 5 5 HELIX 18 AB9 SER L 122 GLY L 129 1 8 HELIX 19 AC1 LYS L 184 GLU L 188 1 5 SHEET 1 AA1 3 ILE S 712 LEU S 727 0 SHEET 2 AA1 3 VAL S1060 ALA S1078 -1 O VAL S1068 N THR S 719 SHEET 3 AA1 3 TYR S1047 GLN S1054 -1 N GLN S1054 O VAL S1061 SHEET 1 AA2 4 ILE S 712 LEU S 727 0 SHEET 2 AA2 4 VAL S1060 ALA S1078 -1 O VAL S1068 N THR S 719 SHEET 3 AA2 4 VAL S1094 SER S1097 -1 O SER S1097 N THR S1076 SHEET 4 AA2 4 TRP S1102 THR S1105 -1 O PHE S1103 N VAL S1096 SHEET 1 AA3 2 SER S 735 VAL S 736 0 SHEET 2 AA3 2 LEU S 858 THR S 859 -1 O THR S 859 N SER S 735 SHEET 1 AA4 4 THR S1120 ASN S1125 0 SHEET 2 AA4 4 LYS S1086 PRO S1090 -1 N PHE S1089 O PHE S1121 SHEET 3 AA4 4 ILE S1081 HIS S1083 -1 N ILE S1081 O HIS S1088 SHEET 4 AA4 4 VAL S1133 ASN S1134 1 O VAL S1133 N CYS S1082 SHEET 1 AA5 4 GLN H 3 SER H 7 0 SHEET 2 AA5 4 LEU H 18 SER H 25 -1 O THR H 23 N ARG H 5 SHEET 3 AA5 4 GLN H 77 LEU H 82 -1 O LEU H 80 N LEU H 20 SHEET 4 AA5 4 VAL H 67 VAL H 71 -1 N THR H 68 O ASN H 81 SHEET 1 AA6 6 LEU H 11 VAL H 12 0 SHEET 2 AA6 6 THR H 106 VAL H 110 1 O THR H 109 N VAL H 12 SHEET 3 AA6 6 ALA H 91 ALA H 96 -1 N ALA H 91 O VAL H 108 SHEET 4 AA6 6 TRP H 34 ARG H 38 -1 N SER H 35 O ALA H 96 SHEET 5 AA6 6 GLU H 46 ILE H 51 -1 O ILE H 51 N TRP H 34 SHEET 6 AA6 6 ASN H 58 TYR H 59 -1 O ASN H 58 N TYR H 50 SHEET 1 AA7 4 VAL H 120 LEU H 123 0 SHEET 2 AA7 4 ALA H 135 TYR H 144 -1 O LEU H 140 N PHE H 121 SHEET 3 AA7 4 TYR H 175 VAL H 183 -1 O VAL H 181 N LEU H 137 SHEET 4 AA7 4 HIS H 163 THR H 164 -1 N HIS H 163 O VAL H 180 SHEET 1 AA8 4 VAL H 120 LEU H 123 0 SHEET 2 AA8 4 ALA H 135 TYR H 144 -1 O LEU H 140 N PHE H 121 SHEET 3 AA8 4 TYR H 175 VAL H 183 -1 O VAL H 181 N LEU H 137 SHEET 4 AA8 4 VAL H 168 LEU H 169 -1 N VAL H 168 O SER H 176 SHEET 1 AA9 3 THR H 150 TRP H 153 0 SHEET 2 AA9 3 ILE H 194 ASN H 198 -1 O ASN H 196 N SER H 152 SHEET 3 AA9 3 ASP H 207 ARG H 209 -1 O LYS H 208 N CYS H 195 SHEET 1 AB1 4 LEU L 4 GLN L 6 0 SHEET 2 AB1 4 ALA L 19 ALA L 25 -1 O ARG L 24 N THR L 5 SHEET 3 AB1 4 PHE L 72 ILE L 76 -1 O PHE L 72 N CYS L 23 SHEET 4 AB1 4 PHE L 63 GLY L 67 -1 N SER L 64 O THR L 75 SHEET 1 AB2 6 THR L 10 LEU L 13 0 SHEET 2 AB2 6 THR L 103 ILE L 107 1 O LYS L 104 N LEU L 11 SHEET 3 AB2 6 ALA L 85 GLN L 91 -1 N ALA L 85 O VAL L 105 SHEET 4 AB2 6 LEU L 34 GLN L 39 -1 N ALA L 35 O HIS L 90 SHEET 5 AB2 6 ARG L 46 PHE L 50 -1 O LEU L 48 N TRP L 36 SHEET 6 AB2 6 SER L 54 ARG L 55 -1 O SER L 54 N PHE L 50 SHEET 1 AB3 4 VAL L 116 PHE L 119 0 SHEET 2 AB3 4 THR L 130 PHE L 140 -1 O LEU L 136 N PHE L 117 SHEET 3 AB3 4 TYR L 174 SER L 183 -1 O LEU L 176 N LEU L 137 SHEET 4 AB3 4 SER L 160 VAL L 164 -1 N GLN L 161 O THR L 179 SHEET 1 AB4 3 LYS L 146 VAL L 151 0 SHEET 2 AB4 3 TYR L 193 THR L 198 -1 O GLU L 196 N GLN L 148 SHEET 3 AB4 3 VAL L 206 PHE L 210 -1 O LYS L 208 N CYS L 195 SSBOND 1 CYS S 738 CYS S 760 1555 1555 2.04 SSBOND 2 CYS S 743 CYS S 749 1555 1555 2.04 SSBOND 3 CYS S 970 CYS S 999 1555 1555 2.03 SSBOND 4 CYS S 1032 CYS S 1043 1555 1555 2.03 SSBOND 5 CYS H 22 CYS H 95 1555 1555 2.03 SSBOND 6 CYS H 139 CYS H 195 1555 1555 2.04 SSBOND 7 CYS L 23 CYS L 89 1555 1555 2.04 SSBOND 8 CYS L 135 CYS L 195 1555 1555 2.03 LINK ND2 ASN S 717 C1 NAG S1303 1555 1555 1.45 LINK ND2 ASN S 801 C1 NAG S1304 1555 1555 1.44 LINK ND2 ASN S1074 C1 NAG S1302 1555 1555 1.44 LINK ND2 ASN S1098 C1 NAG A 1 1555 1555 1.44 LINK ND2 ASN S1134 C1 NAG S1301 1555 1555 1.44 LINK ND2 ASN H 81 C1 NAG H 301 1555 1555 1.44 LINK O4 NAG A 1 C1 NAG A 2 1555 1555 1.44 CISPEP 1 TYR L 141 PRO L 142 0 2.01 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