ID 1QURL STANDARD; PRT; 27 AA. DT CONVERTED FROM PDB (SEQRES) 1QUR DE HUMAN THROMBIN (ALPHA CHAIN) OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.209 FT #SUB 1 1B ALA L 218 206 ARG H Protein B 1 FT #SUB 2 1A ASP L 116 119 HIS H Protein A 8 FT #SUB 3 1 CYS L 117 120 PRO H Protein A 3 FT #SUB 3 1 CYS L 118 121 VAL H Protein S 1 FT #SUB 3 1 CYS L 119 122 CYS H Protein A 10 FT #SUB 3 1 CYS L 218 206 ARG H Protein B 3 FT #SUB 4 2 GLY L 117 120 PRO H Protein B 2 FT #SUB 4 2 GLY L 119 122 CYS H Protein B 2 FT #SUB 4 2 GLY L 218 206 ARG H Protein B 2 FT #SUB 4 2 GLY L 219 207 TRP H Protein B 8 FT #SUB 5 3 LEU L 116 119 HIS H Protein B 4 FT #SUB 5 3 LEU L 217 205 ASN H Protein S 1 FT #SUB 5 3 LEU L 218 206 ARG H Protein S 1 FT #SUB 6 4 ARG L 10 25 GLY H Protein S 1 FT #SUB 6 4 ARG L 11 26 MET H Protein S 7 FT #SUB 6 4 ARG L 13 28 PRO H Protein S 3 FT #SUB 6 4 ARG L 14 29 TRP H Protein S 3 FT #SUB 6 4 ARG L 137 137 ARG H Protein S 1 FT #SUB 6 4 ARG L 219 207 TRP H Protein S 6 FT #SUB 7 5 PRO L 112 115 SER H Protein S 1 FT #SUB 7 5 PRO L 113 116 ASP H Protein S 3 FT #SUB 7 5 PRO L 116 119 HIS H Protein S 2 FT #SUB 8 6 LEU L 9 24 ILE H Protein S 1 FT #SUB 8 6 LEU L 113 116 ASP H Protein S 5 FT #SUB 9 7 PHE L 8 23 GLU H Protein S 2 FT #SUB 9 7 PHE L 9 24 ILE H Protein S 2 FT #SUB 9 7 PHE L 10 25 GLY H Protein S 3 FT #SUB 9 7 PHE L 11 26 MET H Protein S 2 FT #SUB 10 8 GLU L 212 202 LYS H Protein S 5 FT #SUB 10 8 GLU L 217 205 ASN H Protein S 1 FT #SUB 10 8 GLU L 219 207 TRP H Protein S 6 FT #SUB 11 9 LYS L 116 119 HIS H Protein S 1 FT #SUB 16 14 ASP L 8 23 GLU H Protein A 4 FT #SUB 16 14 ASP L 11 26 MET H Protein S 3 FT #SUB 16 14 ASP L 137 137 ARG H Protein S 8 FT #SUB 17 14A LYS L 8 23 GLU H Protein A 7 FT #SUB 18 14B THR L 137 137 ARG H Protein A 5 FT #SUB 18 14B THR L 164 159 ASN H Protein A 3 FT #SUB 19 14C GLU L 137 137 ARG H Protein B 2 FT #SUB 19 14C GLU L 212 202 LYS H Protein S 5 FT #SUB 21 14E GLU L 135 135 LYS H Protein S 5 FT #SUB 21 14E GLU L 164 159 ASN H Protein S 4 FT #SUB 21 14E GLU L 190 184A TYR H Protein S 1 FT #SUB 22 14F LEU L 135 135 LYS H Protein S 3 FT #SUB 22 14F LEU L 136 136 GLY H Protein S 2 FT #SUB 22 14F LEU L 164 159 ASN H Protein S 3 FT #SUB 22 14F LEU L 219 207 TRP H Protein S 2 FT #SUB 23 14G LEU L 214 204 PRO H Protein S 1 FT #SUB 25 14I SER L 133 133 GLY H Protein S 1 FT #SUB 25 14I SER L 134 134 TYR H Protein A 4 FT #SUB 25 14I SER L 135 135 LYS H Protein S 5 FT #SUB 26 14J TYR L 134 134 TYR H Protein A 7 FT #SUB 26 14J TYR L 135 135 LYS H Protein S 3 FT #SUB 26 14J TYR L 211 201 MET H Protein S 5 FT #SUB 26 14J TYR L 212 202 LYS H Protein S 5 FT #SUB 27 14K ILE L 134 134 TYR H Protein B 3 CC SEQUENCE 27 AA (ATOM); CC ADCGLRPLFE KKSLEDKTER ELLESYI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES ADCGLRPLFEKKSLEDKTERELLESYI CC ATOM ADCGLRPLFEKKSLEDKTERELLESYI CC *************************** SQ SEQUENCE 27 AA; MW; CN; ADCGLRPLFE KKSLEDKTER ELLESYI // ID 1QURH STANDARD; PRT; 257 AA. DT CONVERTED FROM PDB (SEQRES) 1QUR DE HUMAN THROMBIN (BETA CHAIN) OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.209 FT #SUB 8 23 GLU H 9 7 PHE L Protein S 2 FT #SUB 8 23 GLU H 16 14 ASP L Protein S 4 FT #SUB 8 23 GLU H 17 14A LYS L Protein S 7 FT #SUB 9 24 ILE H 8 6 LEU L Protein B 1 FT #SUB 9 24 ILE H 9 7 PHE L Protein B 2 FT #SUB 10 25 GLY H 6 4 ARG L Protein B 1 FT #SUB 10 25 GLY H 9 7 PHE L Protein B 3 FT #SUB 11 26 MET H 6 4 ARG L Protein A 7 FT #SUB 11 26 MET H 9 7 PHE L Protein B 2 FT #SUB 11 26 MET H 16 14 ASP L Protein S 3 FT #SUB 13 28 PRO H 6 4 ARG L Protein S 3 FT #SUB 14 29 TRP H 6 4 ARG L Protein S 3 FT #SUB 112 115 SER H 7 5 PRO L Protein B 1 FT #SUB 113 116 ASP H 7 5 PRO L Protein A 3 FT #SUB 113 116 ASP H 8 6 LEU L Protein A 5 FT #SUB 116 119 HIS H 2 1A ASP L Protein S 8 FT #SUB 116 119 HIS H 5 3 LEU L Protein S 4 FT #SUB 116 119 HIS H 7 5 PRO L Protein S 2 FT #SUB 116 119 HIS H 11 9 LYS L Protein S 1 FT #SUB 117 120 PRO H 3 1 CYS L Protein B 3 FT #SUB 117 120 PRO H 4 2 GLY L Protein B 2 FT #SUB 118 121 VAL H 3 1 CYS L Protein B 1 FT #SUB 119 122 CYS H 3 1 CYS L Protein A 10 FT #SUB 119 122 CYS H 4 2 GLY L Protein S 2 FT #SUB 133 133 GLY H 25 14I SER L Protein B 1 FT #SUB 134 134 TYR H 25 14I SER L Protein A 4 FT #SUB 134 134 TYR H 26 14J TYR L Protein S 7 FT #SUB 134 134 TYR H 27 14K ILE L Protein S 3 FT #SUB 135 135 LYS H 21 14E GLU L Protein S 5 FT #SUB 135 135 LYS H 22 14F LEU L Protein A 3 FT #SUB 135 135 LYS H 25 14I SER L Protein A 5 FT #SUB 135 135 LYS H 26 14J TYR L Protein B 3 FT #SUB 136 136 GLY H 22 14F LEU L Protein B 2 FT #SUB 137 137 ARG H 6 4 ARG L Protein S 1 FT #SUB 137 137 ARG H 16 14 ASP L Protein S 8 FT #SUB 137 137 ARG H 18 14B THR L Protein S 5 FT #SUB 137 137 ARG H 19 14C GLU L Protein S 2 FT #SUB 164 159 ASN H 18 14B THR L Protein S 3 FT #SUB 164 159 ASN H 21 14E GLU L Protein S 4 FT #SUB 164 159 ASN H 22 14F LEU L Protein S 3 FT #SUB 190 184A TYR H 21 14E GLU L Protein S 1 FT #SUB 211 201 MET H 26 14J TYR L Protein A 5 FT #SUB 212 202 LYS H 10 8 GLU L Protein S 5 FT #SUB 212 202 LYS H 19 14C GLU L Protein S 5 FT #SUB 212 202 LYS H 26 14J TYR L Protein B 5 FT #SUB 214 204 PRO H 23 14G LEU L Protein S 1 FT #SUB 217 205 ASN H 5 3 LEU L Protein B 1 FT #SUB 217 205 ASN H 10 8 GLU L Protein B 1 FT #SUB 218 206 ARG H 1 1B ALA L Protein S 1 FT #SUB 218 206 ARG H 3 1 CYS L Protein S 3 FT #SUB 218 206 ARG H 4 2 GLY L Protein B 2 FT #SUB 218 206 ARG H 5 3 LEU L Protein S 1 FT #SUB 219 207 TRP H 4 2 GLY L Protein A 8 FT #SUB 219 207 TRP H 6 4 ARG L Protein S 6 FT #SUB 219 207 TRP H 10 8 GLU L Protein S 6 FT #SUB 219 207 TRP H 22 14F LEU L Protein S 2 FT #SUB 19 34 PHE H 10 56 TYR I Protein S 5 FT #SUB 23 37 PRO H 7 53 ASN I Protein A 9 FT #SUB 24 38 GLN H 7 53 ASN I Protein B 5 FT #SUB 25 39 GLU H 5 51 GLY I Protein S 1 FT #SUB 25 39 GLU H 6 52 GLY I Protein A 4 FT #SUB 25 39 GLU H 7 53 ASN I Protein A 6 FT #SUB 26 40 LEU H 5 51 GLY I Protein B 1 FT #SUB 26 40 LEU H 6 52 GLY I Protein B 1 FT #SUB 26 40 LEU H 10 56 TYR I Protein A 4 FT #SUB 43 57 HIS H 1 47 00I I Protein S 9 FT #SUB 47 60A TYR H 1 47 00I I Protein S 7 FT #SUB 50 60D TRP H 1 47 00I I Protein S 2 FT #SUB 68 73 ARG H 9 55 ASP I Protein S 3 FT #SUB 68 73 ARG H 10 56 TYR I Protein A 8 FT #SUB 69 74 THR H 9 55 ASP I Protein S 3 FT #SUB 69 74 THR H 10 56 TYR I Protein B 3 FT #SUB 69 74 THR H 11 57 GLU I Protein B 4 FT #SUB 70 75 ARG H 11 57 GLU I Protein A 6 FT #SUB 71 76 TYR H 11 57 GLU I Protein B 1 FT #SUB 71 76 TYR H 17 63 ALA I Protein S 1 FT #SUB 78 82 ILE H 13 59 ILE I Protein S 2 FT #SUB 80 84 MET H 19 65 DGL I Protein S 2 FT #SUB 94 97A GLU H 1 47 00I I Protein B 1 FT #SUB 95 98 ASN H 1 47 00I I Protein B 5 FT #SUB 96 99 LEU H 1 47 00I I Protein A 3 FT #SUB 107 110 LYS H 19 65 DGL I Protein S 6 FT #SUB 146 146 GLU H 2 48 ABU I Protein B 1 FT #SUB 147 147 THR H 2 48 ABU I Protein S 1 FT #SUB 154 149E LYS H 9 55 ASP I Protein S 1 FT #SUB 179 174 ILE H 1 47 00I I Protein S 4 FT #SUB 199 189 ASP H 1 47 00I I Protein S 9 FT #SUB 200 190 ALA H 1 47 00I I Protein B 6 FT #SUB 201 191 CYS H 1 47 00I I Protein B 1 FT #SUB 202 192 GLU H 1 47 00I I Protein S 2 FT #SUB 202 192 GLU H 2 48 ABU I Protein S 2 FT #SUB 202 192 GLU H 4 50 GLY I Protein S 1 FT #SUB 205 195 SER H 1 47 00I I Protein S 5 FT #SUB 226 214 SER H 1 47 00I I Protein B 3 FT #SUB 227 215 TRP H 1 47 00I I Protein A 11 FT #SUB 228 216 GLY H 1 47 00I I Protein B 12 FT #SUB 229 217 GLU H 1 47 00I I Protein S 1 FT #SUB 230 219 GLY H 1 47 00I I Protein B 6 FT #SUB 231 220 CYS H 1 47 00I I Protein A 2 FT #SUB 238 226 GLY H 1 47 00I I Protein B 1 CC SEQUENCE 257 AA (ATOM); CC IVEGSDAEIG MSPWQVMLFR KSPQELLCGA SLISDRWVLT AAHCLLYPPW DKNFTENDLL CC VRIGKHSRTR YERNIEKISM LEKIYIHPRY NWRENLDRDI ALMKLKKPVA FSDYIHPVCL CC PDRETAASLL QAGYKGRVTG WGNLKETWTA NVGKGQPSVL QVVNLPIVER PVCKDSTRIR CC ITDNMFCAGY KPDEGKRGDA CEGDSGGPFV MKSPFNNRWY QMGIVSWGEG CDRDGKYGFY CC THVFRLKKWI QKVIDQF 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 ALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTA CC ************************************************** CC SEQRES NVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA CC ATOM NVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDA CC ************************************************** CC SEQRES CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI CC ATOM CEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWI CC ************************************************** CC SEQRES QKVIDQF CC ATOM QKVIDQF CC ******* SQ SEQUENCE 257 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 QKVIDQF // ID 1QURI STANDARD; PRT; 19 AA. DT CONVERTED FROM PDB (SEQRES) 1QUR DE BIVALENT INHIBITOR (BZA-2 HIRULOG) OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.209 FT #SUB 1 47 00I I 43 57 HIS H Protein S 9 FT #SUB 1 47 00I I 47 60A TYR H Protein S 7 FT #SUB 1 47 00I I 50 60D TRP H Protein S 2 FT #SUB 1 47 00I I 94 97A GLU H Protein S 1 FT #SUB 1 47 00I I 95 98 ASN H Protein S 5 FT #SUB 1 47 00I I 96 99 LEU H Protein S 3 FT #SUB 1 47 00I I 179 174 ILE H Protein S 4 FT #SUB 1 47 00I I 199 189 ASP H Protein S 9 FT #SUB 1 47 00I I 200 190 ALA H Protein S 6 FT #SUB 1 47 00I I 201 191 CYS H Protein S 1 FT #SUB 1 47 00I I 202 192 GLU H Protein S 2 FT #SUB 1 47 00I I 205 195 SER H Protein S 5 FT #SUB 1 47 00I I 226 214 SER H Protein S 3 FT #SUB 1 47 00I I 227 215 TRP H Protein A 11 FT #SUB 1 47 00I I 228 216 GLY H Protein A 12 FT #SUB 1 47 00I I 229 217 GLU H Protein S 1 FT #SUB 1 47 00I I 230 219 GLY H Protein S 6 FT #SUB 1 47 00I I 231 220 CYS H Protein S 2 FT #SUB 1 47 00I I 238 226 GLY H Protein S 1 FT #SUB 2 48 ABU I 146 146 GLU H Protein S 1 FT #SUB 2 48 ABU I 147 147 THR H Protein S 1 FT #SUB 2 48 ABU I 202 192 GLU H Protein A 2 FT #SUB 4 50 GLY I 202 192 GLU H Protein B 1 FT #SUB 5 51 GLY I 25 39 GLU H Protein B 1 FT #SUB 5 51 GLY I 26 40 LEU H Protein B 1 FT #SUB 6 52 GLY I 25 39 GLU H Protein B 4 FT #SUB 6 52 GLY I 26 40 LEU H Protein B 1 FT #SUB 7 53 ASN I 23 37 PRO H Protein S 9 FT #SUB 7 53 ASN I 24 38 GLN H Protein A 5 FT #SUB 7 53 ASN I 25 39 GLU H Protein A 6 FT #SUB 9 55 ASP I 68 73 ARG H Protein S 3 FT #SUB 9 55 ASP I 69 74 THR H Protein A 3 FT #SUB 9 55 ASP I 154 149E LYS H Protein S 1 FT #SUB 10 56 TYR I 19 34 PHE H Protein S 5 FT #SUB 10 56 TYR I 26 40 LEU H Protein S 4 FT #SUB 10 56 TYR I 68 73 ARG H Protein S 8 FT #SUB 10 56 TYR I 69 74 THR H Protein A 3 FT #SUB 11 57 GLU I 69 74 THR H Protein A 4 FT #SUB 11 57 GLU I 70 75 ARG H Protein S 6 FT #SUB 11 57 GLU I 71 76 TYR H Protein S 1 FT #SUB 13 59 ILE I 78 82 ILE H Protein S 2 FT #SUB 17 63 ALA I 71 76 TYR H Protein S 1 FT #SUB 19 65 DGL I 80 84 MET H Protein B 2 FT #SUB 19 65 DGL I 107 110 LYS H Protein S 6 CC SEQUENCE 19 AA (ATOM); CC XXGGGGNGDY EPIPEEAXX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XXGGGGNGDYEPIPEEAXX CC ATOM XXGGGGNGDYEPIPEEAXX CC ******************* SQ SEQUENCE 19 AA; MW; CN; XXGGGGNGDY EPIPEEAXX //