ID 4E7RL STANDARD; PRT; 36 AA. DT CONVERTED FROM PDB (SEQRES) 4E7R DE Thrombin light chain OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.250 CC R-Factor 0.174 FT #SUB 7 1B ALA L 218 206 ARG H Protein B 4 FT #SUB 8 1A ASP L 116 119 HIS H Protein A 7 FT #SUB 8 1A ASP L 218 206 ARG H Protein B 2 FT #SUB 9 1 CYS L 117 120 PRO H Protein A 3 FT #SUB 9 1 CYS L 118 121 VAL H Protein S 2 FT #SUB 9 1 CYS L 119 122 CYS H Protein A 10 FT #SUB 9 1 CYS L 218 206 ARG H Protein B 6 FT #SUB 10 2 GLY L 14 29 TRP H Protein B 1 FT #SUB 10 2 GLY L 117 120 PRO H Protein B 2 FT #SUB 10 2 GLY L 119 122 CYS H Protein B 3 FT #SUB 10 2 GLY L 218 206 ARG H Protein B 2 FT #SUB 10 2 GLY L 219 207 TRP H Protein B 8 FT #SUB 11 3 LEU L 116 119 HIS H Protein B 4 FT #SUB 11 3 LEU L 217 205 ASN H Protein S 1 FT #SUB 11 3 LEU L 218 206 ARG H Protein S 3 FT #SUB 12 4 ARG L 10 25 GLY H Protein S 1 FT #SUB 12 4 ARG L 11 26 MET H Protein S 7 FT #SUB 12 4 ARG L 13 28 PRO H Protein S 3 FT #SUB 12 4 ARG L 14 29 TRP H Protein S 3 FT #SUB 12 4 ARG L 137 137 ARG H Protein S 1 FT #SUB 12 4 ARG L 219 207 TRP H Protein S 7 FT #SUB 13 5 PRO L 112 115 SER H Protein S 1 FT #SUB 13 5 PRO L 113 116 ASP H Protein S 4 FT #SUB 13 5 PRO L 116 119 HIS H Protein S 2 FT #SUB 14 6 LEU L 9 24 ILE H Protein S 1 FT #SUB 14 6 LEU L 113 116 ASP H Protein S 5 FT #SUB 15 7 PHE L 8 23 GLU H Protein S 2 FT #SUB 15 7 PHE L 9 24 ILE H Protein S 2 FT #SUB 15 7 PHE L 10 25 GLY H Protein S 3 FT #SUB 15 7 PHE L 11 26 MET H Protein S 2 FT #SUB 16 8 GLU L 212 202 LYS H Protein S 5 FT #SUB 16 8 GLU L 217 205 ASN H Protein S 1 FT #SUB 16 8 GLU L 219 207 TRP H Protein S 6 FT #SUB 22 14 ASP L 8 23 GLU H Protein A 3 FT #SUB 22 14 ASP L 11 26 MET H Protein S 5 FT #SUB 22 14 ASP L 137 137 ARG H Protein S 9 FT #SUB 23 14A LYS L 8 23 GLU H Protein A 4 FT #SUB 24 14B THR L 137 137 ARG H Protein A 4 FT #SUB 24 14B THR L 164 159 ASN H Protein A 4 FT #SUB 25 14C GLU L 137 137 ARG H Protein A 3 FT #SUB 25 14C GLU L 212 202 LYS H Protein S 5 FT #SUB 27 14E GLU L 135 135 LYS H Protein A 7 FT #SUB 27 14E GLU L 164 159 ASN H Protein S 4 FT #SUB 27 14E GLU L 190 184A TYR H Protein S 1 FT #SUB 27 14E GLU L 196 186D LYS H Protein S 1 FT #SUB 28 14F LEU L 135 135 LYS H Protein S 3 FT #SUB 28 14F LEU L 164 159 ASN H Protein S 3 FT #SUB 28 14F LEU L 219 207 TRP H Protein S 2 FT #SUB 29 14G LEU L 214 204 PRO H Protein S 1 FT #SUB 31 14I SER L 133 133 GLY H Protein S 2 FT #SUB 31 14I SER L 134 134 TYR H Protein A 4 FT #SUB 31 14I SER L 135 135 LYS H Protein S 6 FT #SUB 32 14J TYR L 134 134 TYR H Protein A 6 FT #SUB 32 14J TYR L 135 135 LYS H Protein S 4 FT #SUB 32 14J TYR L 211 201 MET H Protein S 5 FT #SUB 32 14J TYR L 212 202 LYS H Protein S 5 FT #SUB 32 14J TYR L 214 204 PRO H Protein S 2 FT #SUB 33 14K ILE L 134 134 TYR H Protein A 5 FT DISORDER 1 5 FT DISORDER 34 36 CC SEQUENCE 28 AA (ATOM); CC EADCGLRPLF EKKSLEDKTE RELLESYI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR CC ATOM -----EADCGLRPLFEKKSLEDKTERELLESYI--- CC **************************** SQ SEQUENCE 36 AA; MW; CN; TFGSGEADCG LRPLFEKKSL EDKTERELLE SYIDGR // ID 4E7RM STANDARD; PRT; 36 AA. DT CONVERTED FROM PDB (SEQRES) 4E7R DE Thrombin light chain OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.250 CC R-Factor 0.174 FT #SUB 7 1001B ALA M 218 1206 ARG G Protein B 4 FT #SUB 8 1001A ASP M 116 1119 HIS G Protein A 6 FT #SUB 8 1001A ASP M 218 1206 ARG G Protein B 3 FT #SUB 9 1001 CYS M 117 1120 PRO G Protein A 3 FT #SUB 9 1001 CYS M 118 1121 VAL G Protein S 2 FT #SUB 9 1001 CYS M 119 1122 CYS G Protein A 10 FT #SUB 9 1001 CYS M 218 1206 ARG G Protein B 6 FT #SUB 10 1002 GLY M 14 1029 TRP G Protein B 1 FT #SUB 10 1002 GLY M 117 1120 PRO G Protein B 2 FT #SUB 10 1002 GLY M 119 1122 CYS G Protein B 3 FT #SUB 10 1002 GLY M 218 1206 ARG G Protein B 2 FT #SUB 10 1002 GLY M 219 1207 TRP G Protein B 8 FT #SUB 11 1003 LEU M 116 1119 HIS G Protein B 4 FT #SUB 11 1003 LEU M 217 1205 ASN G Protein S 1 FT #SUB 11 1003 LEU M 218 1206 ARG G Protein S 4 FT #SUB 12 1004 ARG M 10 1025 GLY G Protein S 1 FT #SUB 12 1004 ARG M 11 1026 MET G Protein S 7 FT #SUB 12 1004 ARG M 13 1028 PRO G Protein S 3 FT #SUB 12 1004 ARG M 14 1029 TRP G Protein S 3 FT #SUB 12 1004 ARG M 137 1137 ARG G Protein S 1 FT #SUB 12 1004 ARG M 219 1207 TRP G Protein S 7 FT #SUB 13 1005 PRO M 112 1115 SER G Protein S 1 FT #SUB 13 1005 PRO M 113 1116 ASP G Protein S 4 FT #SUB 13 1005 PRO M 116 1119 HIS G Protein S 2 FT #SUB 14 1006 LEU M 10 1025 GLY G Protein S 1 FT #SUB 14 1006 LEU M 113 1116 ASP G Protein S 5 FT #SUB 15 1007 PHE M 8 1023 GLU G Protein S 2 FT #SUB 15 1007 PHE M 9 1024 ILE G Protein S 2 FT #SUB 15 1007 PHE M 10 1025 GLY G Protein S 3 FT #SUB 15 1007 PHE M 11 1026 MET G Protein S 2 FT #SUB 16 1008 GLU M 212 1202 LYS G Protein S 5 FT #SUB 16 1008 GLU M 217 1205 ASN G Protein S 1 FT #SUB 16 1008 GLU M 219 1207 TRP G Protein S 6 FT #SUB 17 1009 LYS M 116 1119 HIS G Protein S 1 FT #SUB 22 1014 ASP M 8 1023 GLU G Protein A 3 FT #SUB 22 1014 ASP M 11 1026 MET G Protein S 4 FT #SUB 22 1014 ASP M 137 1137 ARG G Protein S 9 FT #SUB 23 1014A LYS M 8 1023 GLU G Protein A 4 FT #SUB 24 1014B THR M 137 1137 ARG G Protein A 4 FT #SUB 24 1014B THR M 164 1159 ASN G Protein A 3 FT #SUB 25 1014C GLU M 137 1137 ARG G Protein A 3 FT #SUB 25 1014C GLU M 212 1202 LYS G Protein S 5 FT #SUB 27 1014E GLU M 135 1135 LYS G Protein A 7 FT #SUB 27 1014E GLU M 164 1159 ASN G Protein S 5 FT #SUB 27 1014E GLU M 190 1184A TYR G Protein S 1 FT #SUB 27 1014E GLU M 196 1186D LYS G Protein S 1 FT #SUB 28 1014F LEU M 135 1135 LYS G Protein S 3 FT #SUB 28 1014F LEU M 136 1136 GLY G Protein S 1 FT #SUB 28 1014F LEU M 164 1159 ASN G Protein S 3 FT #SUB 28 1014F LEU M 219 1207 TRP G Protein S 2 FT #SUB 29 1014G LEU M 214 1204 PRO G Protein S 1 FT #SUB 31 1014I SER M 133 1133 GLY G Protein S 2 FT #SUB 31 1014I SER M 134 1134 TYR G Protein A 4 FT #SUB 31 1014I SER M 135 1135 LYS G Protein S 7 FT #SUB 32 1014J TYR M 134 1134 TYR G Protein A 8 FT #SUB 32 1014J TYR M 135 1135 LYS G Protein S 4 FT #SUB 32 1014J TYR M 211 1201 MET G Protein S 6 FT #SUB 32 1014J TYR M 212 1202 LYS G Protein S 3 FT #SUB 32 1014J TYR M 214 1204 PRO G Protein S 2 FT #SUB 33 1014K ILE M 134 1134 TYR G Protein B 4 FT DISORDER 1 5 FT DISORDER 34 36 CC SEQUENCE 28 AA (ATOM); CC EADCGLRPLF EKKSLEDKTE RELLESYI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR CC ATOM -----EADCGLRPLFEKKSLEDKTERELLESYI--- CC **************************** SQ SEQUENCE 36 AA; MW; CN; TFGSGEADCG LRPLFEKKSL EDKTERELLE SYIDGR // ID 4E7RH STANDARD; PRT; 259 AA. DT CONVERTED FROM PDB (SEQRES) 4E7R DE Thrombin heavy chain OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.250 CC R-Factor 0.174 FT #SUB 8 23 GLU H 15 7 PHE L Protein S 2 FT #SUB 8 23 GLU H 22 14 ASP L Protein S 3 FT #SUB 8 23 GLU H 23 14A LYS L Protein S 4 FT #SUB 9 24 ILE H 14 6 LEU L Protein B 1 FT #SUB 9 24 ILE H 15 7 PHE L Protein B 2 FT #SUB 10 25 GLY H 12 4 ARG L Protein B 1 FT #SUB 10 25 GLY H 15 7 PHE L Protein B 3 FT #SUB 11 26 MET H 12 4 ARG L Protein A 7 FT #SUB 11 26 MET H 15 7 PHE L Protein B 2 FT #SUB 11 26 MET H 22 14 ASP L Protein S 5 FT #SUB 13 28 PRO H 12 4 ARG L Protein S 3 FT #SUB 14 29 TRP H 10 2 GLY L Protein S 1 FT #SUB 14 29 TRP H 12 4 ARG L Protein S 3 FT #SUB 112 115 SER H 13 5 PRO L Protein B 1 FT #SUB 113 116 ASP H 13 5 PRO L Protein A 4 FT #SUB 113 116 ASP H 14 6 LEU L Protein A 5 FT #SUB 116 119 HIS H 8 1A ASP L Protein S 7 FT #SUB 116 119 HIS H 11 3 LEU L Protein S 4 FT #SUB 116 119 HIS H 13 5 PRO L Protein S 2 FT #SUB 117 120 PRO H 9 1 CYS L Protein B 3 FT #SUB 117 120 PRO H 10 2 GLY L Protein B 2 FT #SUB 118 121 VAL H 9 1 CYS L Protein B 2 FT #SUB 119 122 CYS H 9 1 CYS L Protein A 10 FT #SUB 119 122 CYS H 10 2 GLY L Protein A 3 FT #SUB 133 133 GLY H 31 14I SER L Protein B 2 FT #SUB 134 134 TYR H 31 14I SER L Protein A 4 FT #SUB 134 134 TYR H 32 14J TYR L Protein S 6 FT #SUB 134 134 TYR H 33 14K ILE L Protein S 5 FT #SUB 135 135 LYS H 27 14E GLU L Protein S 7 FT #SUB 135 135 LYS H 28 14F LEU L Protein A 3 FT #SUB 135 135 LYS H 31 14I SER L Protein A 6 FT #SUB 135 135 LYS H 32 14J TYR L Protein B 4 FT #SUB 137 137 ARG H 12 4 ARG L Protein S 1 FT #SUB 137 137 ARG H 22 14 ASP L Protein S 9 FT #SUB 137 137 ARG H 24 14B THR L Protein S 4 FT #SUB 137 137 ARG H 25 14C GLU L Protein S 3 FT #SUB 164 159 ASN H 24 14B THR L Protein S 4 FT #SUB 164 159 ASN H 27 14E GLU L Protein S 4 FT #SUB 164 159 ASN H 28 14F LEU L Protein S 3 FT #SUB 190 184A TYR H 27 14E GLU L Protein S 1 FT #SUB 196 186D LYS H 27 14E GLU L Protein S 1 FT #SUB 211 201 MET H 32 14J TYR L Protein A 5 FT #SUB 212 202 LYS H 16 8 GLU L Protein S 5 FT #SUB 212 202 LYS H 25 14C GLU L Protein S 5 FT #SUB 212 202 LYS H 32 14J TYR L Protein B 5 FT #SUB 214 204 PRO H 29 14G LEU L Protein S 1 FT #SUB 214 204 PRO H 32 14J TYR L Protein S 2 FT #SUB 217 205 ASN H 11 3 LEU L Protein B 1 FT #SUB 217 205 ASN H 16 8 GLU L Protein B 1 FT #SUB 218 206 ARG H 7 1B ALA L Protein S 4 FT #SUB 218 206 ARG H 8 1A ASP L Protein S 2 FT #SUB 218 206 ARG H 9 1 CYS L Protein S 6 FT #SUB 218 206 ARG H 10 2 GLY L Protein B 2 FT #SUB 218 206 ARG H 11 3 LEU L Protein S 3 FT #SUB 219 207 TRP H 10 2 GLY L Protein A 8 FT #SUB 219 207 TRP H 12 4 ARG L Protein S 7 FT #SUB 219 207 TRP H 16 8 GLU L Protein S 6 FT #SUB 219 207 TRP H 28 14F LEU L Protein S 2 FT #SUB 9 24 ILE H 73 1077A ARG G Protein S 5 FT #SUB 66 71 HIS H 73 1077A ARG G Protein S 1 FT #SUB 70 75 ARG H 70 1075 ARG G Protein S 3 FT #SUB 70 75 ARG H 71 1076 TYR G Protein S 1 FT #SUB 70 75 ARG H 72 1077 GLU G Protein S 5 FT #SUB 70 75 ARG H 73 1077A ARG G Protein S 1 FT #SUB 72 77 GLU H 73 1077A ARG G Protein S 3 FT #SUB 73 77A ARG H 9 1024 ILE G Protein S 4 FT #SUB 73 77A ARG H 66 1071 HIS G Protein S 1 FT #SUB 73 77A ARG H 72 1077 GLU G Protein S 1 FT #SUB 73 77A ARG H 75 1079 ILE G Protein A 8 FT #SUB 73 77A ARG H 114 1117 TYR G Protein S 2 FT #SUB 74 78 ASN H 75 1079 ILE G Protein S 1 FT #SUB 74 78 ASN H 114 1117 TYR G Protein S 5 FT #SUB 75 79 ILE H 73 1077A ARG G Protein S 7 FT #SUB 75 79 ILE H 74 1078 ASN G Protein S 4 FT #SUB 114 117 TYR H 73 1077A ARG G Protein S 2 FT #SUB 114 117 TYR H 74 1078 ASN G Protein S 5 FT #SUB 19 34 PHE H 2 556 PHE I Protein S 4 FT #SUB 24 38 GLN H 2 556 PHE I Protein B 1 FT #SUB 24 38 GLN H 3 557 GLU I Protein S 1 FT #SUB 24 38 GLN H 4 558 GLU I Protein S 1 FT #SUB 24 38 GLN H 5 559 ILE I Protein S 1 FT #SUB 24 38 GLN H 10 564 LEU I Protein S 1 FT #SUB 25 39 GLU H 2 556 PHE I Protein B 1 FT #SUB 26 40 LEU H 2 556 PHE I Protein A 3 FT #SUB 60 65 LEU H 5 559 ILE I Protein S 1 FT #SUB 60 65 LEU H 9 563 TYS I Protein S 2 FT #SUB 62 67 ARG H 5 559 ILE I Protein S 2 FT #SUB 68 73 ARG H 1 555 ASP I Protein S 3 FT #SUB 68 73 ARG H 2 556 PHE I Protein A 3 FT #SUB 69 74 THR H 1 555 ASP I Protein S 3 FT #SUB 69 74 THR H 2 556 PHE I Protein B 3 FT #SUB 69 74 THR H 3 557 GLU I Protein B 3 FT #SUB 70 75 ARG H 3 557 GLU I Protein A 4 FT #SUB 71 76 TYR H 3 557 GLU I Protein A 7 FT #SUB 71 76 TYR H 6 560 PRO I Protein S 9 FT #SUB 71 76 TYR H 9 563 TYS I Protein S 5 FT #SUB 76 80 GLU H 9 563 TYS I Protein B 1 FT #SUB 77 81 LYS H 9 563 TYS I Protein A 6 FT #SUB 78 82 ILE H 5 559 ILE I Protein S 2 FT #SUB 78 82 ILE H 9 563 TYS I Protein A 9 FT #HET 43 57 HIS H 2 302 0NW H A 8 FT #HET 46 60 LEU H 1 301 NAG H S 1 FT #HET 47 60A TYR H 2 302 0NW H S 5 FT #HET 50 60D TRP H 2 302 0NW H S 5 FT #HET 89 93 ARG H 5 305 PO4 H S 1 FT #HET 91 95 ASN H 5 305 PO4 H S 4 FT #HET 95 98 ASN H 2 302 0NW H B 3 FT #HET 96 99 LEU H 2 302 0NW H A 4 FT #HET 97 100 ASP H 5 305 PO4 H S 5 FT #HET 98 101 ARG H 5 305 PO4 H S 7 FT #HET 167 162 ILE H 6 306 GOL H S 1 FT #HET 168 163 VAL H 6 306 GOL H B 6 FT #HET 169 164 GLU H 6 306 GOL H B 2 FT #HET 170 165 ARG H 6 306 GOL H A 5 FT #HET 170 165 ARG H 7 307 GOL H S 8 FT #HET 173 168 CYS H 6 306 GOL H S 1 FT #HET 174 169 LYS H 3 303 NA H B 2 FT #HET 177 172 THR H 3 303 NA H B 2 FT #HET 180 175 ARG H 5 305 PO4 H S 1 FT #HET 186 181 PHE H 6 306 GOL H A 5 FT #HET 187 182 CYS H 6 306 GOL H B 2 FT #HET 199 189 ASP H 2 302 0NW H S 8 FT #HET 200 190 ALA H 2 302 0NW H A 7 FT #HET 201 191 CYS H 2 302 0NW H B 4 FT #HET 202 192 GLU H 2 302 0NW H A 8 FT #HET 205 195 SER H 2 302 0NW H S 2 FT #HET 225 213 VAL H 2 302 0NW H S 2 FT #HET 226 214 SER H 2 302 0NW H B 1 FT #HET 227 215 TRP H 2 302 0NW H A 19 FT #HET 228 216 GLY H 2 302 0NW H B 14 FT #HET 229 217 GLU H 2 302 0NW H A 3 FT #HET 230 219 GLY H 2 302 0NW H B 6 FT #HET 231 220 CYS H 2 302 0NW H B 1 FT #HET 232 221 ASP H 4 304 NA H B 1 FT #HET 233 221A ARG H 4 304 NA H B 3 FT #HET 234 222 ASP H 4 304 NA H B 1 FT #HET 236 224 LYS H 4 304 NA H B 4 FT #HET 238 226 GLY H 2 302 0NW H B 1 FT #HET 242 230 HIS H 7 307 GOL H S 2 FT #MOD 53 60G ASN H 1 301 NAG H S FT DISORDER 147 154 FT DISORDER 259 259 CC SEQUENCE 250 AA (ATOM); CC IVEGSDAEIG MSPWQVMLFR KSPQELLCGA SLISDRWVLT AAHCLLYPPW DKNFTENDLL CC VRIGKHSRTR YERNIEKISM LEKIYIHPRY NWRENLDRDI ALMKLKKPVA FSDYIHPVCL CC PDRETAASLL QAGYKGRVTG WGNLKEGQPS VLQVVNLPIV ERPVCKDSTR IRITDNMFCA CC GYKPDEGKRG DACEGDSGGP FVMKSPFNNR WYQMGIVSWG EGCDRDGKYG FYTHVFRLKK CC WIQKVIDQFG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW CC ATOM IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW CC ************************************************** CC SEQRES DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI CC ATOM DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI CC ************************************************** CC SEQRES ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTA CC ATOM ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKE---- CC ********************************************** CC SEQRES NVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA CC ATOM ----GQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA CC ********************************************** CC SEQRES CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI CC ATOM CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI CC ************************************************** CC SEQRES QKVIDQFGE CC ATOM QKVIDQFG- CC ******** SQ SEQUENCE 259 AA; MW; CN; IVEGSDAEIG MSPWQVMLFR KSPQELLCGA SLISDRWVLT AAHCLLYPPW DKNFTENDLL VRIGKHSRTR YERNIEKISM LEKIYIHPRY NWRENLDRDI ALMKLKKPVA FSDYIHPVCL PDRETAASLL QAGYKGRVTG WGNLKETWTA NVGKGQPSVL QVVNLPIVER PVCKDSTRIR ITDNMFCAGY KPDEGKRGDA CEGDSGGPFV MKSPFNNRWY QMGIVSWGEG CDRDGKYGFY THVFRLKKWI QKVIDQFGE // ID 4E7RG STANDARD; PRT; 259 AA. DT CONVERTED FROM PDB (SEQRES) 4E7R DE Thrombin heavy chain OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.250 CC R-Factor 0.174 FT #SUB 8 1023 GLU G 15 1007 PHE M Protein S 2 FT #SUB 8 1023 GLU G 22 1014 ASP M Protein S 3 FT #SUB 8 1023 GLU G 23 1014A LYS M Protein S 4 FT #SUB 9 1024 ILE G 15 1007 PHE M Protein B 2 FT #SUB 10 1025 GLY G 12 1004 ARG M Protein B 1 FT #SUB 10 1025 GLY G 14 1006 LEU M Protein B 1 FT #SUB 10 1025 GLY G 15 1007 PHE M Protein B 3 FT #SUB 11 1026 MET G 12 1004 ARG M Protein A 7 FT #SUB 11 1026 MET G 15 1007 PHE M Protein B 2 FT #SUB 11 1026 MET G 22 1014 ASP M Protein S 4 FT #SUB 13 1028 PRO G 12 1004 ARG M Protein S 3 FT #SUB 14 1029 TRP G 10 1002 GLY M Protein S 1 FT #SUB 14 1029 TRP G 12 1004 ARG M Protein S 3 FT #SUB 112 1115 SER G 13 1005 PRO M Protein B 1 FT #SUB 113 1116 ASP G 13 1005 PRO M Protein A 4 FT #SUB 113 1116 ASP G 14 1006 LEU M Protein A 5 FT #SUB 116 1119 HIS G 8 1001A ASP M Protein S 6 FT #SUB 116 1119 HIS G 11 1003 LEU M Protein S 4 FT #SUB 116 1119 HIS G 13 1005 PRO M Protein S 2 FT #SUB 116 1119 HIS G 17 1009 LYS M Protein S 1 FT #SUB 117 1120 PRO G 9 1001 CYS M Protein B 3 FT #SUB 117 1120 PRO G 10 1002 GLY M Protein B 2 FT #SUB 118 1121 VAL G 9 1001 CYS M Protein B 2 FT #SUB 119 1122 CYS G 9 1001 CYS M Protein A 10 FT #SUB 119 1122 CYS G 10 1002 GLY M Protein A 3 FT #SUB 133 1133 GLY G 31 1014I SER M Protein B 2 FT #SUB 134 1134 TYR G 31 1014I SER M Protein A 4 FT #SUB 134 1134 TYR G 32 1014J TYR M Protein S 8 FT #SUB 134 1134 TYR G 33 1014K ILE M Protein S 4 FT #SUB 135 1135 LYS G 27 1014E GLU M Protein S 7 FT #SUB 135 1135 LYS G 28 1014F LEU M Protein A 3 FT #SUB 135 1135 LYS G 31 1014I SER M Protein A 7 FT #SUB 135 1135 LYS G 32 1014J TYR M Protein B 4 FT #SUB 136 1136 GLY G 28 1014F LEU M Protein B 1 FT #SUB 137 1137 ARG G 12 1004 ARG M Protein S 1 FT #SUB 137 1137 ARG G 22 1014 ASP M Protein S 9 FT #SUB 137 1137 ARG G 24 1014B THR M Protein S 4 FT #SUB 137 1137 ARG G 25 1014C GLU M Protein S 3 FT #SUB 164 1159 ASN G 24 1014B THR M Protein S 3 FT #SUB 164 1159 ASN G 27 1014E GLU M Protein S 5 FT #SUB 164 1159 ASN G 28 1014F LEU M Protein S 3 FT #SUB 190 1184A TYR G 27 1014E GLU M Protein S 1 FT #SUB 196 1186D LYS G 27 1014E GLU M Protein S 1 FT #SUB 211 1201 MET G 32 1014J TYR M Protein A 6 FT #SUB 212 1202 LYS G 16 1008 GLU M Protein S 5 FT #SUB 212 1202 LYS G 25 1014C GLU M Protein S 5 FT #SUB 212 1202 LYS G 32 1014J TYR M Protein B 3 FT #SUB 214 1204 PRO G 29 1014G LEU M Protein S 1 FT #SUB 214 1204 PRO G 32 1014J TYR M Protein S 2 FT #SUB 217 1205 ASN G 11 1003 LEU M Protein B 1 FT #SUB 217 1205 ASN G 16 1008 GLU M Protein B 1 FT #SUB 218 1206 ARG G 7 1001B ALA M Protein S 4 FT #SUB 218 1206 ARG G 8 1001A ASP M Protein S 3 FT #SUB 218 1206 ARG G 9 1001 CYS M Protein S 6 FT #SUB 218 1206 ARG G 10 1002 GLY M Protein B 2 FT #SUB 218 1206 ARG G 11 1003 LEU M Protein S 4 FT #SUB 219 1207 TRP G 10 1002 GLY M Protein A 8 FT #SUB 219 1207 TRP G 12 1004 ARG M Protein S 7 FT #SUB 219 1207 TRP G 16 1008 GLU M Protein S 6 FT #SUB 219 1207 TRP G 28 1014F LEU M Protein S 2 FT #SUB 9 1024 ILE G 73 77A ARG H Protein S 4 FT #SUB 66 1071 HIS G 73 77A ARG H Protein S 1 FT #SUB 70 1075 ARG G 70 75 ARG H Protein S 3 FT #SUB 71 1076 TYR G 70 75 ARG H Protein B 1 FT #SUB 72 1077 GLU G 70 75 ARG H Protein A 5 FT #SUB 72 1077 GLU G 73 77A ARG H Protein S 1 FT #SUB 73 1077A ARG G 9 24 ILE H Protein S 5 FT #SUB 73 1077A ARG G 66 71 HIS H Protein S 1 FT #SUB 73 1077A ARG G 70 75 ARG H Protein B 1 FT #SUB 73 1077A ARG G 72 77 GLU H Protein S 3 FT #SUB 73 1077A ARG G 75 79 ILE H Protein A 7 FT #SUB 73 1077A ARG G 114 117 TYR H Protein S 2 FT #SUB 74 1078 ASN G 75 79 ILE H Protein S 4 FT #SUB 74 1078 ASN G 114 117 TYR H Protein S 5 FT #SUB 75 1079 ILE G 73 77A ARG H Protein S 8 FT #SUB 75 1079 ILE G 74 78 ASN H Protein S 1 FT #SUB 114 1117 TYR G 73 77A ARG H Protein S 2 FT #SUB 114 1117 TYR G 74 78 ASN H Protein S 5 FT #SUB 19 1034 PHE G 2 1556 PHE J Protein S 3 FT #SUB 24 1038 GLN G 3 1557 GLU J Protein S 1 FT #SUB 24 1038 GLN G 4 1558 GLU J Protein S 1 FT #SUB 24 1038 GLN G 5 1559 ILE J Protein S 2 FT #SUB 24 1038 GLN G 10 1564 LEU J Protein S 1 FT #SUB 26 1040 LEU G 2 1556 PHE J Protein A 3 FT #SUB 60 1065 LEU G 5 1559 ILE J Protein S 1 FT #SUB 60 1065 LEU G 9 1563 TYS J Protein S 2 FT #SUB 62 1067 ARG G 5 1559 ILE J Protein S 3 FT #SUB 68 1073 ARG G 2 1556 PHE J Protein A 5 FT #SUB 69 1074 THR G 1 1555 ASP J Protein S 2 FT #SUB 69 1074 THR G 2 1556 PHE J Protein B 4 FT #SUB 69 1074 THR G 3 1557 GLU J Protein B 3 FT #SUB 70 1075 ARG G 3 1557 GLU J Protein A 3 FT #SUB 71 1076 TYR G 3 1557 GLU J Protein A 5 FT #SUB 71 1076 TYR G 4 1558 GLU J Protein S 1 FT #SUB 71 1076 TYR G 6 1560 PRO J Protein S 9 FT #SUB 71 1076 TYR G 9 1563 TYS J Protein S 7 FT #SUB 76 1080 GLU G 9 1563 TYS J Protein B 2 FT #SUB 77 1081 LYS G 9 1563 TYS J Protein A 6 FT #SUB 78 1082 ILE G 5 1559 ILE J Protein S 2 FT #SUB 78 1082 ILE G 9 1563 TYS J Protein A 11 FT #HET 43 1057 HIS G 9 1302 0NW G A 8 FT #HET 47 1060A TYR G 9 1302 0NW G S 3 FT #HET 50 1060D TRP G 9 1302 0NW G S 2 FT #HET 89 1093 ARG G 12 1305 PO4 G A 2 FT #HET 91 1095 ASN G 12 1305 PO4 G S 3 FT #HET 95 1098 ASN G 9 1302 0NW G B 3 FT #HET 96 1099 LEU G 9 1302 0NW G S 3 FT #HET 97 1100 ASP G 12 1305 PO4 G S 5 FT #HET 98 1101 ARG G 12 1305 PO4 G S 9 FT #HET 167 1162 ILE G 13 1306 GOL G S 2 FT #HET 168 1163 VAL G 13 1306 GOL G B 6 FT #HET 170 1165 ARG G 13 1306 GOL G A 5 FT #HET 173 1168 CYS G 13 1306 GOL G S 1 FT #HET 174 1169 LYS G 10 1303 NA G B 2 FT #HET 177 1172 THR G 10 1303 NA G B 2 FT #HET 180 1175 ARG G 12 1305 PO4 G S 1 FT #HET 186 1181 PHE G 13 1306 GOL G A 6 FT #HET 187 1182 CYS G 13 1306 GOL G B 2 FT #HET 190 1184A TYR G 11 1304 NA G B 1 FT #HET 199 1189 ASP G 9 1302 0NW G S 9 FT #HET 200 1190 ALA G 9 1302 0NW G B 6 FT #HET 201 1191 CYS G 9 1302 0NW G B 5 FT #HET 202 1192 GLU G 9 1302 0NW G A 6 FT #HET 205 1195 SER G 9 1302 0NW G S 2 FT #HET 225 1213 VAL G 9 1302 0NW G S 2 FT #HET 226 1214 SER G 9 1302 0NW G B 1 FT #HET 227 1215 TRP G 9 1302 0NW G A 19 FT #HET 228 1216 GLY G 9 1302 0NW G B 22 FT #HET 229 1217 GLU G 9 1302 0NW G A 3 FT #HET 230 1219 GLY G 9 1302 0NW G B 7 FT #HET 231 1220 CYS G 9 1302 0NW G B 1 FT #HET 233 1221A ARG G 11 1304 NA G B 2 FT #HET 236 1224 LYS G 11 1304 NA G B 3 FT #HET 238 1226 GLY G 9 1302 0NW G B 1 FT #MOD 53 1060G ASN G 8 1301 NAG G S FT DISORDER 148 154 FT DISORDER 258 259 CC SEQUENCE 250 AA (ATOM); CC IVEGSDAEIG MSPWQVMLFR KSPQELLCGA SLISDRWVLT AAHCLLYPPW DKNFTENDLL CC VRIGKHSRTR YERNIEKISM LEKIYIHPRY NWRENLDRDI ALMKLKKPVA FSDYIHPVCL CC PDRETAASLL QAGYKGRVTG WGNLKETGQP SVLQVVNLPI VERPVCKDST RIRITDNMFC CC AGYKPDEGKR GDACEGDSGG PFVMKSPFNN RWYQMGIVSW GEGCDRDGKY GFYTHVFRLK CC KWIQKVIDQF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW CC ATOM IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPW CC ************************************************** CC SEQRES DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI CC ATOM DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDI CC ************************************************** CC SEQRES ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTA CC ATOM ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKET--- CC *********************************************** CC SEQRES NVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA CC ATOM ----GQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA CC ********************************************** CC SEQRES CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI CC ATOM CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI CC ************************************************** CC SEQRES QKVIDQFGE CC ATOM QKVIDQF-- CC ******* SQ SEQUENCE 259 AA; MW; CN; IVEGSDAEIG MSPWQVMLFR KSPQELLCGA SLISDRWVLT AAHCLLYPPW DKNFTENDLL VRIGKHSRTR YERNIEKISM LEKIYIHPRY NWRENLDRDI ALMKLKKPVA FSDYIHPVCL PDRETAASLL QAGYKGRVTG WGNLKETWTA NVGKGQPSVL QVVNLPIVER PVCKDSTRIR ITDNMFCAGY KPDEGKRGDA CEGDSGGPFV MKSPFNNRWY QMGIVSWGEG CDRDGKYGFY THVFRLKKWI QKVIDQFGE // ID 4E7RI STANDARD; PRT; 11 AA. DT CONVERTED FROM PDB (SEQRES) 4E7R DE Hirudin variant-2 OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.250 CC R-Factor 0.174 FT #SUB 1 555 ASP I 68 73 ARG H Protein S 3 FT #SUB 1 555 ASP I 69 74 THR H Protein A 3 FT #SUB 2 556 PHE I 19 34 PHE H Protein S 4 FT #SUB 2 556 PHE I 24 38 GLN H Protein S 1 FT #SUB 2 556 PHE I 25 39 GLU H Protein S 1 FT #SUB 2 556 PHE I 26 40 LEU H Protein S 3 FT #SUB 2 556 PHE I 68 73 ARG H Protein S 3 FT #SUB 2 556 PHE I 69 74 THR H Protein A 3 FT #SUB 3 557 GLU I 24 38 GLN H Protein B 1 FT #SUB 3 557 GLU I 69 74 THR H Protein A 3 FT #SUB 3 557 GLU I 70 75 ARG H Protein S 4 FT #SUB 3 557 GLU I 71 76 TYR H Protein S 7 FT #SUB 4 558 GLU I 24 38 GLN H Protein B 1 FT #SUB 5 559 ILE I 24 38 GLN H Protein S 1 FT #SUB 5 559 ILE I 60 65 LEU H Protein S 1 FT #SUB 5 559 ILE I 62 67 ARG H Protein S 2 FT #SUB 5 559 ILE I 78 82 ILE H Protein S 2 FT #SUB 6 560 PRO I 71 76 TYR H Protein S 9 FT #SUB 9 563 TYS I 60 65 LEU H Protein B 2 FT #SUB 9 563 TYS I 71 76 TYR H Protein S 5 FT #SUB 9 563 TYS I 76 80 GLU H Protein S 1 FT #SUB 9 563 TYS I 77 81 LYS H Protein S 6 FT #SUB 9 563 TYS I 78 82 ILE H Protein S 9 FT #SUB 10 564 LEU I 24 38 GLN H Protein S 1 CC SEQUENCE 11 AA (ATOM); CC DFEEIPEEXL Q CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DFEEIPEEXLQ CC ATOM DFEEIPEEXLQ CC *********** SQ SEQUENCE 11 AA; MW; CN; DFEEIPEEXL Q // ID 4E7RJ STANDARD; PRT; 11 AA. DT CONVERTED FROM PDB (SEQRES) 4E7R DE Hirudin variant-2 OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.250 CC R-Factor 0.174 FT #SUB 1 1555 ASP J 69 1074 THR G Protein B 2 FT #SUB 2 1556 PHE J 19 1034 PHE G Protein S 3 FT #SUB 2 1556 PHE J 26 1040 LEU G Protein S 3 FT #SUB 2 1556 PHE J 68 1073 ARG G Protein S 5 FT #SUB 2 1556 PHE J 69 1074 THR G Protein A 4 FT #SUB 3 1557 GLU J 24 1038 GLN G Protein B 1 FT #SUB 3 1557 GLU J 69 1074 THR G Protein A 3 FT #SUB 3 1557 GLU J 70 1075 ARG G Protein S 3 FT #SUB 3 1557 GLU J 71 1076 TYR G Protein S 5 FT #SUB 4 1558 GLU J 24 1038 GLN G Protein B 1 FT #SUB 4 1558 GLU J 71 1076 TYR G Protein B 1 FT #SUB 5 1559 ILE J 24 1038 GLN G Protein S 2 FT #SUB 5 1559 ILE J 60 1065 LEU G Protein S 1 FT #SUB 5 1559 ILE J 62 1067 ARG G Protein S 3 FT #SUB 5 1559 ILE J 78 1082 ILE G Protein S 2 FT #SUB 6 1560 PRO J 71 1076 TYR G Protein S 9 FT #SUB 9 1563 TYS J 60 1065 LEU G Protein B 2 FT #SUB 9 1563 TYS J 71 1076 TYR G Protein S 7 FT #SUB 9 1563 TYS J 76 1080 GLU G Protein S 2 FT #SUB 9 1563 TYS J 77 1081 LYS G Protein S 6 FT #SUB 9 1563 TYS J 78 1082 ILE G Protein S 11 FT #SUB 10 1564 LEU J 24 1038 GLN G Protein S 1 CC SEQUENCE 11 AA (ATOM); CC DFEEIPEEXL Q CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DFEEIPEEXLQ CC ATOM DFEEIPEEXLQ CC *********** SQ SEQUENCE 11 AA; MW; CN; DFEEIPEEXL Q //