ID 1NU9A STANDARD; PRT; 291 AA. DT CONVERTED FROM PDB (SEQRES) 1NU9 DE Thrombin light and heavy chains OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.217 FT #SUB 37 20 SER A 3 3 THR C Protein S 4 FT #SUB 37 20 SER A 4 4 LYS C Protein S 2 FT #SUB 38 21 ASP A 56 56 LYS C Protein S 2 FT #SUB 51 34 PHE A 194 194 LEU C Protein S 2 FT #SUB 55 37 PRO A 198 198 ASP C Protein A 4 FT #SUB 56 38 GLN A 193 193 ASP C Protein S 1 FT #SUB 56 38 GLN A 194 194 LEU C Protein S 4 FT #SUB 56 38 GLN A 197 197 GLY C Protein S 5 FT #SUB 56 38 GLN A 198 198 ASP C Protein A 6 FT #SUB 56 38 GLN A 203 203 HIS C Protein S 2 FT #SUB 92 65 LEU A 190 190 ALA C Protein S 1 FT #SUB 94 67 ARG A 194 194 LEU C Protein S 3 FT #SUB 100 73 ARG A 46 46 GLU C Protein S 5 FT #SUB 101 74 THR A 51 51 GLY C Protein S 3 FT #SUB 102 75 ARG A 48 48 TYR C Protein S 18 FT #SUB 102 75 ARG A 49 49 HIS C Protein S 1 FT #SUB 102 75 ARG A 51 51 GLY C Protein S 13 FT #SUB 102 75 ARG A 52 52 GLU C Protein S 3 FT #SUB 103 76 TYR A 191 191 LYS C Protein S 1 FT #SUB 103 76 TYR A 195 195 VAL C Protein S 3 FT #SUB 103 76 TYR A 217 217 ASP C Protein S 5 FT #SUB 103 76 TYR A 221 221 ILE C Protein S 2 FT #SUB 103 76 TYR A 224 224 ASP C Protein S 1 FT #SUB 105 77A ARG A 213 213 GLU C Protein S 6 FT #SUB 105 77A ARG A 216 216 LYS C Protein S 4 FT #SUB 105 77A ARG A 217 217 ASP C Protein S 7 FT #SUB 105 77A ARG A 220 220 SER C Protein S 2 FT #SUB 105 77A ARG A 277 277 VAL C Protein S 1 FT #SUB 105 77A ARG A 278 278 LYS C Protein B 4 FT #SUB 106 78 ASN A 278 278 LYS C Protein S 1 FT #SUB 109 81 LYS A 228 228 GLU C Protein S 2 FT #SUB 110 82 ILE A 187 187 GLU C Protein B 1 FT #SUB 110 82 ILE A 191 191 LYS C Protein S 4 FT #SUB 111 83 SER A 187 187 GLU C Protein B 1 FT #SUB 112 84 MET A 183 183 THR C Protein S 1 FT #SUB 112 84 MET A 186 186 LEU C Protein S 1 FT #SUB 112 84 MET A 187 187 GLU C Protein A 3 FT #SUB 138 109 LYS A 183 183 THR C Protein S 3 FT #SUB 139 110 LYS A 184 184 GLU C Protein S 3 FT #SUB 139 110 LYS A 187 187 GLU C Protein S 1 FT #SUB 139 110 LYS A 228 228 GLU C Protein S 3 FT #SUB 170 138 VAL A 1 1 ILE C Protein A 2 FT #SUB 171 139 THR A 1 1 ILE C Protein B 1 FT #SUB 172 140 GLY A 1 1 ILE C Protein B 2 FT #SUB 174 142 GLY A 1 1 ILE C Protein B 2 FT #SUB 175 143 ASN A 1 1 ILE C Protein B 5 FT #SUB 176 144 LEU A 1 1 ILE C Protein A 3 FT #SUB 176 144 LEU A 2 2 VAL C Protein B 5 FT #SUB 177 145 LYS A 2 2 VAL C Protein B 2 FT #SUB 177 145 LYS A 6 6 TYR C Protein S 1 FT #SUB 177 145 LYS A 67 67 LEU C Protein S 1 FT #SUB 177 145 LYS A 70 70 ASP C Protein S 5 FT #SUB 177 145 LYS A 71 71 GLN C Protein S 8 FT #SUB 178 146 GLU A 70 70 ASP C Protein B 1 FT #SUB 178 146 GLU A 74 74 LEU C Protein A 2 FT #SUB 178 146 GLU A 105 105 PHE C Protein S 1 FT #SUB 179 147 THR A 70 70 ASP C Protein A 10 FT #SUB 180 148 TRP A 31 31 LEU C Protein S 2 FT #SUB 180 148 TRP A 34 34 LEU C Protein S 1 FT #SUB 180 148 TRP A 35 35 GLU C Protein S 1 FT #SUB 180 148 TRP A 38 38 PHE C Protein S 2 FT #SUB 180 148 TRP A 70 70 ASP C Protein A 6 FT #SUB 180 148 TRP A 73 73 LEU C Protein S 7 FT #SUB 180 148 TRP A 74 74 LEU C Protein S 2 FT #SUB 180 148 TRP A 110 110 ILE C Protein S 2 FT #SUB 181 149 THR A 35 35 GLU C Protein S 5 FT #SUB 183 149B ASN A 35 35 GLU C Protein S 7 FT #SUB 183 149B ASN A 39 39 ILE C Protein B 2 FT #SUB 184 149C VAL A 39 39 ILE C Protein B 1 FT #SUB 184 149C VAL A 42 42 LEU C Protein B 1 FT #SUB 184 149C VAL A 70 70 ASP C Protein S 3 FT #SUB 186 149E LYS A 42 42 LEU C Protein B 1 FT #SUB 188 151 GLN A 63 63 MET C Protein B 2 FT #SUB 190 153 SER A 56 56 LYS C Protein S 2 FT #SUB 193 156 GLN A 1 1 ILE C Protein A 3 FT #SUB 194 157 VAL A 3 3 THR C Protein B 1 FT #SUB 195 158 VAL A 1 1 ILE C Protein S 2 FT #SUB 195 158 VAL A 3 3 THR C Protein S 2 FT #SUB 230 188 GLY A 2 2 VAL C Protein B 2 FT #SUB 231 189 ASP A 1 1 ILE C Protein B 3 FT #SUB 231 189 ASP A 2 2 VAL C Protein B 6 FT #SUB 236 194 ASP A 1 1 ILE C Protein S 10 FT #SUB 263 220 CYS A 2 2 VAL C Protein S 1 FT #SUB 264 221A ASP A 2 2 VAL C Protein S 1 FT #SUB 265 221 ARG A 78 78 LYS C Protein S 2 FT #SUB 265 221 ARG A 105 105 PHE C Protein S 4 FT #HET 75 57 HIS A 1 299 0ZJ A S 22 FT #HET 79 60A TYR A 1 299 0ZJ A S 5 FT #HET 82 60D TRP A 1 299 0ZJ A S 6 FT #HET 126 97A GLU A 1 299 0ZJ A B 1 FT #HET 127 98 ASN A 1 299 0ZJ A B 4 FT #HET 128 99 LEU A 1 299 0ZJ A S 5 FT #HET 211 174 ILE A 1 299 0ZJ A S 3 FT #HET 231 189 ASP A 1 299 0ZJ A S 8 FT #HET 232 190 ALA A 1 299 0ZJ A A 7 FT #HET 235 193 GLY A 1 299 0ZJ A B 1 FT #HET 236 194 ASP A 1 299 0ZJ A B 1 FT #HET 237 195 SER A 1 299 0ZJ A A 15 FT #HET 258 214 SER A 1 299 0ZJ A B 6 FT #HET 259 215 TRP A 1 299 0ZJ A A 17 FT #HET 260 216 GLY A 1 299 0ZJ A B 13 FT #HET 261 217 GLU A 1 299 0ZJ A B 1 FT #HET 262 219 GLY A 1 299 0ZJ A B 4 FT #HET 263 220 CYS A 1 299 0ZJ A B 1 FT #HET 270 226 GLY A 1 299 0ZJ A B 1 FT DISORDER 291 291 CC SEQUENCE 290 AA (ATOM); CC GEADCGLRPL FEKKSLEDKT ERELLESYID GRIVEGSDAE IGMSPWQVML FRKSPQELLC CC GASLISDRWV LTAAHCLLYP PWDKNFTEND LLVRIGKHSR TRYERNIEKI SMLEKIYIHP CC RYNWRENLDR DIALMKLKKP VAFSDYIHPV CLPDRETAAS LLQAGYKGRV TGWGNLKETW CC TANVGKGQPS VLQVVNLPIV ERPVCKDSTR IRITDNMFCA GYKPDEGKRG DACEGDSGGP CC FVMKSPFNNR WYQMGIVSWG EGCDRDGKYG FYTHVFRLKK WIQKVIDQFG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVML CC ATOM GEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVML CC ************************************************** CC SEQRES FRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSR CC ATOM FRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSR CC ************************************************** CC SEQRES TRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPV CC ATOM TRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPV CC ************************************************** CC SEQRES CLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIV CC ATOM CLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIV CC ************************************************** CC SEQRES ERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNR CC ATOM ERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNR CC ************************************************** CC SEQRES WYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE CC ATOM WYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG- CC **************************************** SQ SEQUENCE 291 AA; MW; CN; GEADCGLRPL FEKKSLEDKT ERELLESYID GRIVEGSDAE IGMSPWQVML FRKSPQELLC GASLISDRWV LTAAHCLLYP PWDKNFTEND LLVRIGKHSR TRYERNIEKI SMLEKIYIHP RYNWRENLDR DIALMKLKKP VAFSDYIHPV CLPDRETAAS LLQAGYKGRV TGWGNLKETW TANVGKGQPS VLQVVNLPIV ERPVCKDSTR IRITDNMFCA GYKPDEGKRG DACEGDSGGP FVMKSPFNNR WYQMGIVSWG EGCDRDGKYG FYTHVFRLKK WIQKVIDQFG E // ID 1NU9C STANDARD; PRT; 281 AA. DT CONVERTED FROM PDB (SEQRES) 1NU9 DE Staphylocoagulase OS Staphylococcus aureus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.217 FT #SUB 1 1 ILE C 170 138 VAL A Protein S 2 FT #SUB 1 1 ILE C 171 139 THR A Protein S 1 FT #SUB 1 1 ILE C 172 140 GLY A Protein S 2 FT #SUB 1 1 ILE C 174 142 GLY A Protein B 2 FT #SUB 1 1 ILE C 175 143 ASN A Protein B 5 FT #SUB 1 1 ILE C 176 144 LEU A Protein B 3 FT #SUB 1 1 ILE C 193 156 GLN A Protein S 3 FT #SUB 1 1 ILE C 195 158 VAL A Protein S 2 FT #SUB 1 1 ILE C 231 189 ASP A Protein A 3 FT #SUB 1 1 ILE C 236 194 ASP A Protein A 10 FT #SUB 2 2 VAL C 176 144 LEU A Protein A 5 FT #SUB 2 2 VAL C 177 145 LYS A Protein S 2 FT #SUB 2 2 VAL C 230 188 GLY A Protein B 2 FT #SUB 2 2 VAL C 231 189 ASP A Protein A 6 FT #SUB 2 2 VAL C 263 220 CYS A Protein S 1 FT #SUB 2 2 VAL C 264 221A ASP A Protein S 1 FT #SUB 3 3 THR C 37 20 SER A Protein S 4 FT #SUB 3 3 THR C 194 157 VAL A Protein S 1 FT #SUB 3 3 THR C 195 158 VAL A Protein S 2 FT #SUB 4 4 LYS C 37 20 SER A Protein S 2 FT #SUB 6 6 TYR C 177 145 LYS A Protein S 1 FT #SUB 31 31 LEU C 180 148 TRP A Protein B 2 FT #SUB 34 34 LEU C 180 148 TRP A Protein S 1 FT #SUB 35 35 GLU C 180 148 TRP A Protein B 1 FT #SUB 35 35 GLU C 181 149 THR A Protein S 5 FT #SUB 35 35 GLU C 183 149B ASN A Protein S 7 FT #SUB 38 38 PHE C 180 148 TRP A Protein S 2 FT #SUB 39 39 ILE C 183 149B ASN A Protein S 2 FT #SUB 39 39 ILE C 184 149C VAL A Protein S 1 FT #SUB 42 42 LEU C 184 149C VAL A Protein S 1 FT #SUB 42 42 LEU C 186 149E LYS A Protein S 1 FT #SUB 46 46 GLU C 100 73 ARG A Protein S 5 FT #SUB 48 48 TYR C 102 75 ARG A Protein A 18 FT #SUB 49 49 HIS C 102 75 ARG A Protein B 1 FT #SUB 51 51 GLY C 101 74 THR A Protein B 3 FT #SUB 51 51 GLY C 102 75 ARG A Protein B 13 FT #SUB 52 52 GLU C 102 75 ARG A Protein S 3 FT #SUB 56 56 LYS C 38 21 ASP A Protein S 2 FT #SUB 56 56 LYS C 190 153 SER A Protein S 2 FT #SUB 63 63 MET C 188 151 GLN A Protein S 2 FT #SUB 67 67 LEU C 177 145 LYS A Protein B 1 FT #SUB 70 70 ASP C 177 145 LYS A Protein A 5 FT #SUB 70 70 ASP C 178 146 GLU A Protein S 1 FT #SUB 70 70 ASP C 179 147 THR A Protein S 10 FT #SUB 70 70 ASP C 180 148 TRP A Protein S 6 FT #SUB 70 70 ASP C 184 149C VAL A Protein S 3 FT #SUB 71 71 GLN C 177 145 LYS A Protein A 8 FT #SUB 73 73 LEU C 180 148 TRP A Protein S 7 FT #SUB 74 74 LEU C 178 146 GLU A Protein S 2 FT #SUB 74 74 LEU C 180 148 TRP A Protein B 2 FT #SUB 78 78 LYS C 265 221 ARG A Protein S 2 FT #SUB 105 105 PHE C 178 146 GLU A Protein S 1 FT #SUB 105 105 PHE C 265 221 ARG A Protein S 4 FT #SUB 110 110 ILE C 180 148 TRP A Protein S 2 FT #SUB 183 183 THR C 112 84 MET A Protein S 1 FT #SUB 183 183 THR C 138 109 LYS A Protein S 3 FT #SUB 184 184 GLU C 139 110 LYS A Protein S 3 FT #SUB 186 186 LEU C 112 84 MET A Protein S 1 FT #SUB 187 187 GLU C 110 82 ILE A Protein S 1 FT #SUB 187 187 GLU C 111 83 SER A Protein S 1 FT #SUB 187 187 GLU C 112 84 MET A Protein S 3 FT #SUB 187 187 GLU C 139 110 LYS A Protein S 1 FT #SUB 190 190 ALA C 92 65 LEU A Protein S 1 FT #SUB 191 191 LYS C 103 76 TYR A Protein S 1 FT #SUB 191 191 LYS C 110 82 ILE A Protein S 4 FT #SUB 193 193 ASP C 56 38 GLN A Protein B 1 FT #SUB 194 194 LEU C 51 34 PHE A Protein S 2 FT #SUB 194 194 LEU C 56 38 GLN A Protein B 4 FT #SUB 194 194 LEU C 94 67 ARG A Protein S 3 FT #SUB 195 195 VAL C 103 76 TYR A Protein S 3 FT #SUB 197 197 GLY C 56 38 GLN A Protein B 5 FT #SUB 198 198 ASP C 55 37 PRO A Protein S 4 FT #SUB 198 198 ASP C 56 38 GLN A Protein S 6 FT #SUB 203 203 HIS C 56 38 GLN A Protein S 2 FT #SUB 213 213 GLU C 105 77A ARG A Protein A 6 FT #SUB 216 216 LYS C 105 77A ARG A Protein S 4 FT #SUB 217 217 ASP C 103 76 TYR A Protein S 5 FT #SUB 217 217 ASP C 105 77A ARG A Protein S 7 FT #SUB 220 220 SER C 105 77A ARG A Protein S 2 FT #SUB 221 221 ILE C 103 76 TYR A Protein S 2 FT #SUB 224 224 ASP C 103 76 TYR A Protein S 1 FT #SUB 228 228 GLU C 109 81 LYS A Protein S 2 FT #SUB 228 228 GLU C 139 110 LYS A Protein S 3 FT #SUB 277 277 VAL C 105 77A ARG A Protein S 1 FT #SUB 278 278 LYS C 105 77A ARG A Protein S 4 FT #SUB 278 278 LYS C 106 78 ASN A Protein S 1 FT #SUB 23 23 SER C 111 111 GLU F Protein S 4 FT #SUB 25 25 TRP C 84 84 TYR F Protein S 5 FT #SUB 25 25 TRP C 87 87 LEU F Protein S 4 FT #SUB 25 25 TRP C 91 91 TYR F Protein S 4 FT #SUB 25 25 TRP C 111 111 GLU F Protein S 2 FT #SUB 26 26 TYR C 87 87 LEU F Protein S 5 FT #SUB 26 26 TYR C 94 94 GLU F Protein S 5 FT #SUB 30 30 ARG C 94 94 GLU F Protein S 2 FT #SUB 84 84 TYR C 25 25 TRP F Protein S 3 FT #SUB 87 87 LEU C 25 25 TRP F Protein S 3 FT #SUB 87 87 LEU C 26 26 TYR F Protein S 6 FT #SUB 90 90 LYS C 26 26 TYR F Protein S 2 FT #SUB 90 90 LYS C 115 115 MET F Protein S 2 FT #SUB 91 91 TYR C 25 25 TRP F Protein S 3 FT #SUB 94 94 GLU C 26 26 TYR F Protein S 5 FT #SUB 94 94 GLU C 30 30 ARG F Protein S 1 FT #SUB 111 111 GLU C 23 23 SER F Protein S 2 FT #SUB 111 111 GLU C 25 25 TRP F Protein S 2 FT #HET 25 25 TRP C 10 2000 IMD F S 3 FT #HET 84 84 TYR C 4 2001 IMD C S 4 FT #HET 103 103 LYS C 4 2001 IMD C S 1 FT #HET 106 106 ASP C 2 999 HG C S 3 FT #HET 106 106 ASP C 3 996 HG C S 3 FT #HET 233 233 LYS C 5 2003 IMD C S 4 FT #HET 234 234 PRO C 5 2003 IMD C B 2 FT #HET 235 235 ASP C 5 2003 IMD C B 2 FT #HET 237 237 ILE C 5 2003 IMD C S 2 CC SEQUENCE 281 AA (ATOM); CC IVTKDYSKES RVNENSKYGT LISDWYLKGR LTSLESQFIN ALGILETYHY GEKEYKDAKD CC KLMTRILGED QYLLERKKVQ YEEYKKLYKK YKEENPTSKV KMKTFDQYTI EDLTMREYNE CC LTESLKSAVK DFEKDVEIIE NQHHDLKPFT DEMEEKATAR VDDLANKAYS VYFAFVRDTQ CC HKTEALELKA KVDLVLGDED KPHRISNERI EKEMIKDLES IIEDFFIETG LNKPDNITSY CC DSSKHHYKNH SEGFEALVKE TREAVTNAND SWKTKTVKKY G CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES IVTKDYSKESRVNENSKYGTLISDWYLKGRLTSLESQFINALGILETYHY CC ATOM IVTKDYSKESRVNENSKYGTLISDWYLKGRLTSLESQFINALGILETYHY CC ************************************************** CC SEQRES GEKEYKDAKDKLMTRILGEDQYLLERKKVQYEEYKKLYKKYKEENPTSKV CC ATOM GEKEYKDAKDKLMTRILGEDQYLLERKKVQYEEYKKLYKKYKEENPTSKV CC ************************************************** CC SEQRES KMKTFDQYTIEDLTMREYNELTESLKSAVKDFEKDVEIIENQHHDLKPFT CC ATOM KMKTFDQYTIEDLTMREYNELTESLKSAVKDFEKDVEIIENQHHDLKPFT CC ************************************************** CC SEQRES DEMEEKATARVDDLANKAYSVYFAFVRDTQHKTEALELKAKVDLVLGDED CC ATOM DEMEEKATARVDDLANKAYSVYFAFVRDTQHKTEALELKAKVDLVLGDED CC ************************************************** CC SEQRES KPHRISNERIEKEMIKDLESIIEDFFIETGLNKPDNITSYDSSKHHYKNH CC ATOM KPHRISNERIEKEMIKDLESIIEDFFIETGLNKPDNITSYDSSKHHYKNH CC ************************************************** CC SEQRES SEGFEALVKETREAVTNANDSWKTKTVKKYG CC ATOM SEGFEALVKETREAVTNANDSWKTKTVKKYG CC ******************************* SQ SEQUENCE 281 AA; MW; CN; IVTKDYSKES RVNENSKYGT LISDWYLKGR LTSLESQFIN ALGILETYHY GEKEYKDAKD KLMTRILGED QYLLERKKVQ YEEYKKLYKK YKEENPTSKV KMKTFDQYTI EDLTMREYNE LTESLKSAVK DFEKDVEIIE NQHHDLKPFT DEMEEKATAR VDDLANKAYS VYFAFVRDTQ HKTEALELKA KVDLVLGDED KPHRISNERI EKEMIKDLES IIEDFFIETG LNKPDNITSY DSSKHHYKNH SEGFEALVKE TREAVTNAND SWKTKTVKKY G // ID 1NU9D STANDARD; PRT; 291 AA. DT CONVERTED FROM PDB (SEQRES) 1NU9 DE Thrombin light and heavy chains OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.217 FT #SUB 33 16 ILE D 3 3 THR F Protein S 1 FT #SUB 37 20 SER D 3 3 THR F Protein S 4 FT #SUB 38 21 ASP D 56 56 LYS F Protein S 3 FT #SUB 51 34 PHE D 194 194 LEU F Protein S 3 FT #SUB 55 37 PRO D 198 198 ASP F Protein A 3 FT #SUB 56 38 GLN D 193 193 ASP F Protein S 1 FT #SUB 56 38 GLN D 194 194 LEU F Protein S 5 FT #SUB 56 38 GLN D 197 197 GLY F Protein S 4 FT #SUB 56 38 GLN D 198 198 ASP F Protein A 6 FT #SUB 56 38 GLN D 203 203 HIS F Protein S 2 FT #SUB 94 67 ARG D 194 194 LEU F Protein S 3 FT #SUB 100 73 ARG D 46 46 GLU F Protein S 5 FT #SUB 101 74 THR D 51 51 GLY F Protein S 5 FT #SUB 102 75 ARG D 48 48 TYR F Protein S 20 FT #SUB 102 75 ARG D 49 49 HIS F Protein S 1 FT #SUB 102 75 ARG D 51 51 GLY F Protein S 10 FT #SUB 102 75 ARG D 52 52 GLU F Protein S 5 FT #SUB 102 75 ARG D 210 210 ILE F Protein S 1 FT #SUB 103 76 TYR D 195 195 VAL F Protein S 3 FT #SUB 103 76 TYR D 217 217 ASP F Protein S 5 FT #SUB 103 76 TYR D 221 221 ILE F Protein S 1 FT #SUB 103 76 TYR D 224 224 ASP F Protein S 1 FT #SUB 105 77A ARG D 213 213 GLU F Protein S 5 FT #SUB 105 77A ARG D 216 216 LYS F Protein S 4 FT #SUB 105 77A ARG D 217 217 ASP F Protein S 7 FT #SUB 105 77A ARG D 220 220 SER F Protein S 3 FT #SUB 105 77A ARG D 277 277 VAL F Protein S 2 FT #SUB 105 77A ARG D 278 278 LYS F Protein B 3 FT #SUB 106 78 ASN D 278 278 LYS F Protein S 1 FT #SUB 109 81 LYS D 228 228 GLU F Protein S 2 FT #SUB 110 82 ILE D 191 191 LYS F Protein S 3 FT #SUB 111 83 SER D 187 187 GLU F Protein B 1 FT #SUB 112 84 MET D 186 186 LEU F Protein S 2 FT #SUB 112 84 MET D 187 187 GLU F Protein A 2 FT #SUB 138 109 LYS D 183 183 THR F Protein S 1 FT #SUB 139 110 LYS D 184 184 GLU F Protein S 4 FT #SUB 139 110 LYS D 187 187 GLU F Protein S 1 FT #SUB 139 110 LYS D 228 228 GLU F Protein S 2 FT #SUB 170 138 VAL D 1 1 ILE F Protein S 1 FT #SUB 171 139 THR D 1 1 ILE F Protein B 2 FT #SUB 172 140 GLY D 1 1 ILE F Protein B 2 FT #SUB 174 142 GLY D 1 1 ILE F Protein B 2 FT #SUB 175 143 ASN D 1 1 ILE F Protein B 5 FT #SUB 176 144 LEU D 1 1 ILE F Protein A 3 FT #SUB 176 144 LEU D 2 2 VAL F Protein B 5 FT #SUB 177 145 LYS D 2 2 VAL F Protein B 1 FT #SUB 177 145 LYS D 6 6 TYR F Protein S 1 FT #SUB 177 145 LYS D 67 67 LEU F Protein S 2 FT #SUB 177 145 LYS D 70 70 ASP F Protein S 4 FT #SUB 177 145 LYS D 71 71 GLN F Protein S 9 FT #SUB 178 146 GLU D 70 70 ASP F Protein B 1 FT #SUB 178 146 GLU D 105 105 PHE F Protein S 1 FT #SUB 179 147 THR D 70 70 ASP F Protein A 10 FT #SUB 180 148 TRP D 31 31 LEU F Protein S 2 FT #SUB 180 148 TRP D 34 34 LEU F Protein S 1 FT #SUB 180 148 TRP D 35 35 GLU F Protein S 1 FT #SUB 180 148 TRP D 38 38 PHE F Protein S 2 FT #SUB 180 148 TRP D 70 70 ASP F Protein A 7 FT #SUB 180 148 TRP D 73 73 LEU F Protein S 6 FT #SUB 180 148 TRP D 74 74 LEU F Protein S 2 FT #SUB 180 148 TRP D 110 110 ILE F Protein S 1 FT #SUB 181 149 THR D 35 35 GLU F Protein S 5 FT #SUB 183 149B ASN D 35 35 GLU F Protein S 8 FT #SUB 183 149B ASN D 39 39 ILE F Protein B 2 FT #SUB 184 149C VAL D 38 38 PHE F Protein S 1 FT #SUB 184 149C VAL D 39 39 ILE F Protein B 1 FT #SUB 184 149C VAL D 42 42 LEU F Protein B 1 FT #SUB 184 149C VAL D 70 70 ASP F Protein S 2 FT #SUB 186 149E LYS D 42 42 LEU F Protein B 2 FT #SUB 188 151 GLN D 46 46 GLU F Protein B 1 FT #SUB 188 151 GLN D 63 63 MET F Protein B 1 FT #SUB 193 156 GLN D 1 1 ILE F Protein A 3 FT #SUB 194 157 VAL D 3 3 THR F Protein B 1 FT #SUB 195 158 VAL D 1 1 ILE F Protein S 2 FT #SUB 195 158 VAL D 3 3 THR F Protein S 2 FT #SUB 230 188 GLY D 2 2 VAL F Protein B 2 FT #SUB 231 189 ASP D 1 1 ILE F Protein B 3 FT #SUB 231 189 ASP D 2 2 VAL F Protein B 7 FT #SUB 232 190 ALA D 1 1 ILE F Protein B 1 FT #SUB 233 191 CYS D 2 2 VAL F Protein S 1 FT #SUB 236 194 ASP D 1 1 ILE F Protein S 10 FT #SUB 263 220 CYS D 2 2 VAL F Protein S 1 FT #SUB 264 221A ASP D 2 2 VAL F Protein S 2 FT #SUB 265 221 ARG D 78 78 LYS F Protein S 2 FT #SUB 265 221 ARG D 105 105 PHE F Protein S 3 FT #SUB 265 221 ARG D 106 106 ASP F Protein S 1 FT #HET 75 57 HIS D 7 299 0ZJ D S 22 FT #HET 79 60A TYR D 7 299 0ZJ D S 2 FT #HET 82 60D TRP D 7 299 0ZJ D S 4 FT #HET 126 97A GLU D 7 299 0ZJ D B 1 FT #HET 127 98 ASN D 7 299 0ZJ D B 2 FT #HET 128 99 LEU D 7 299 0ZJ D S 5 FT #HET 211 174 ILE D 7 299 0ZJ D S 2 FT #HET 231 189 ASP D 7 299 0ZJ D S 8 FT #HET 232 190 ALA D 7 299 0ZJ D A 9 FT #HET 235 193 GLY D 7 299 0ZJ D B 3 FT #HET 236 194 ASP D 7 299 0ZJ D B 2 FT #HET 237 195 SER D 7 299 0ZJ D A 15 FT #HET 258 214 SER D 7 299 0ZJ D B 6 FT #HET 259 215 TRP D 7 299 0ZJ D A 18 FT #HET 260 216 GLY D 7 299 0ZJ D B 13 FT #HET 261 217 GLU D 7 299 0ZJ D B 1 FT #HET 262 219 GLY D 7 299 0ZJ D B 3 FT #HET 263 220 CYS D 7 299 0ZJ D B 1 FT #HET 270 226 GLY D 7 299 0ZJ D B 1 FT DISORDER 291 291 CC SEQUENCE 290 AA (ATOM); CC GEADCGLRPL FEKKSLEDKT ERELLESYID GRIVEGSDAE IGMSPWQVML FRKSPQELLC CC GASLISDRWV LTAAHCLLYP PWDKNFTEND LLVRIGKHSR TRYERNIEKI SMLEKIYIHP CC RYNWRENLDR DIALMKLKKP VAFSDYIHPV CLPDRETAAS LLQAGYKGRV TGWGNLKETW CC TANVGKGQPS VLQVVNLPIV ERPVCKDSTR IRITDNMFCA GYKPDEGKRG DACEGDSGGP CC FVMKSPFNNR WYQMGIVSWG EGCDRDGKYG FYTHVFRLKK WIQKVIDQFG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVML CC ATOM GEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVML CC ************************************************** CC SEQRES FRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSR CC ATOM FRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSR CC ************************************************** CC SEQRES TRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPV CC ATOM TRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPV CC ************************************************** CC SEQRES CLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIV CC ATOM CLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIV CC ************************************************** CC SEQRES ERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNR CC ATOM ERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNR CC ************************************************** CC SEQRES WYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE CC ATOM WYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG- CC **************************************** SQ SEQUENCE 291 AA; MW; CN; GEADCGLRPL FEKKSLEDKT ERELLESYID GRIVEGSDAE IGMSPWQVML FRKSPQELLC GASLISDRWV LTAAHCLLYP PWDKNFTEND LLVRIGKHSR TRYERNIEKI SMLEKIYIHP RYNWRENLDR DIALMKLKKP VAFSDYIHPV CLPDRETAAS LLQAGYKGRV TGWGNLKETW TANVGKGQPS VLQVVNLPIV ERPVCKDSTR IRITDNMFCA GYKPDEGKRG DACEGDSGGP FVMKSPFNNR WYQMGIVSWG EGCDRDGKYG FYTHVFRLKK WIQKVIDQFG E // ID 1NU9F STANDARD; PRT; 281 AA. DT CONVERTED FROM PDB (SEQRES) 1NU9 DE Staphylocoagulase OS Staphylococcus aureus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.217 FT #SUB 23 23 SER F 111 111 GLU C Protein S 2 FT #SUB 25 25 TRP F 84 84 TYR C Protein S 3 FT #SUB 25 25 TRP F 87 87 LEU C Protein S 3 FT #SUB 25 25 TRP F 91 91 TYR C Protein S 3 FT #SUB 25 25 TRP F 111 111 GLU C Protein S 2 FT #SUB 26 26 TYR F 87 87 LEU C Protein S 6 FT #SUB 26 26 TYR F 90 90 LYS C Protein S 2 FT #SUB 26 26 TYR F 94 94 GLU C Protein S 5 FT #SUB 30 30 ARG F 94 94 GLU C Protein S 1 FT #SUB 84 84 TYR F 25 25 TRP C Protein S 5 FT #SUB 87 87 LEU F 25 25 TRP C Protein S 4 FT #SUB 87 87 LEU F 26 26 TYR C Protein S 5 FT #SUB 91 91 TYR F 25 25 TRP C Protein S 4 FT #SUB 94 94 GLU F 26 26 TYR C Protein S 5 FT #SUB 94 94 GLU F 30 30 ARG C Protein S 2 FT #SUB 111 111 GLU F 23 23 SER C Protein S 4 FT #SUB 111 111 GLU F 25 25 TRP C Protein S 2 FT #SUB 115 115 MET F 90 90 LYS C Protein S 2 FT #SUB 1 1 ILE F 170 138 VAL D Protein S 1 FT #SUB 1 1 ILE F 171 139 THR D Protein S 2 FT #SUB 1 1 ILE F 172 140 GLY D Protein S 2 FT #SUB 1 1 ILE F 174 142 GLY D Protein B 2 FT #SUB 1 1 ILE F 175 143 ASN D Protein B 5 FT #SUB 1 1 ILE F 176 144 LEU D Protein B 3 FT #SUB 1 1 ILE F 193 156 GLN D Protein S 3 FT #SUB 1 1 ILE F 195 158 VAL D Protein S 2 FT #SUB 1 1 ILE F 231 189 ASP D Protein A 3 FT #SUB 1 1 ILE F 232 190 ALA D Protein S 1 FT #SUB 1 1 ILE F 236 194 ASP D Protein A 10 FT #SUB 2 2 VAL F 176 144 LEU D Protein A 5 FT #SUB 2 2 VAL F 177 145 LYS D Protein S 1 FT #SUB 2 2 VAL F 230 188 GLY D Protein B 2 FT #SUB 2 2 VAL F 231 189 ASP D Protein A 7 FT #SUB 2 2 VAL F 233 191 CYS D Protein S 1 FT #SUB 2 2 VAL F 263 220 CYS D Protein S 1 FT #SUB 2 2 VAL F 264 221A ASP D Protein S 2 FT #SUB 3 3 THR F 33 16 ILE D Protein B 1 FT #SUB 3 3 THR F 37 20 SER D Protein S 4 FT #SUB 3 3 THR F 194 157 VAL D Protein S 1 FT #SUB 3 3 THR F 195 158 VAL D Protein S 2 FT #SUB 6 6 TYR F 177 145 LYS D Protein S 1 FT #SUB 31 31 LEU F 180 148 TRP D Protein B 2 FT #SUB 34 34 LEU F 180 148 TRP D Protein S 1 FT #SUB 35 35 GLU F 180 148 TRP D Protein B 1 FT #SUB 35 35 GLU F 181 149 THR D Protein S 5 FT #SUB 35 35 GLU F 183 149B ASN D Protein S 8 FT #SUB 38 38 PHE F 180 148 TRP D Protein S 2 FT #SUB 38 38 PHE F 184 149C VAL D Protein S 1 FT #SUB 39 39 ILE F 183 149B ASN D Protein S 2 FT #SUB 39 39 ILE F 184 149C VAL D Protein S 1 FT #SUB 42 42 LEU F 184 149C VAL D Protein S 1 FT #SUB 42 42 LEU F 186 149E LYS D Protein S 2 FT #SUB 46 46 GLU F 100 73 ARG D Protein S 5 FT #SUB 46 46 GLU F 188 151 GLN D Protein S 1 FT #SUB 48 48 TYR F 102 75 ARG D Protein A 20 FT #SUB 49 49 HIS F 102 75 ARG D Protein B 1 FT #SUB 51 51 GLY F 101 74 THR D Protein B 5 FT #SUB 51 51 GLY F 102 75 ARG D Protein B 10 FT #SUB 52 52 GLU F 102 75 ARG D Protein A 5 FT #SUB 56 56 LYS F 38 21 ASP D Protein S 3 FT #SUB 63 63 MET F 188 151 GLN D Protein S 1 FT #SUB 67 67 LEU F 177 145 LYS D Protein A 2 FT #SUB 70 70 ASP F 177 145 LYS D Protein A 4 FT #SUB 70 70 ASP F 178 146 GLU D Protein S 1 FT #SUB 70 70 ASP F 179 147 THR D Protein S 10 FT #SUB 70 70 ASP F 180 148 TRP D Protein S 7 FT #SUB 70 70 ASP F 184 149C VAL D Protein S 2 FT #SUB 71 71 GLN F 177 145 LYS D Protein A 9 FT #SUB 73 73 LEU F 180 148 TRP D Protein S 6 FT #SUB 74 74 LEU F 180 148 TRP D Protein B 2 FT #SUB 78 78 LYS F 265 221 ARG D Protein S 2 FT #SUB 105 105 PHE F 178 146 GLU D Protein S 1 FT #SUB 105 105 PHE F 265 221 ARG D Protein S 3 FT #SUB 106 106 ASP F 265 221 ARG D Protein S 1 FT #SUB 110 110 ILE F 180 148 TRP D Protein S 1 FT #SUB 183 183 THR F 138 109 LYS D Protein S 1 FT #SUB 184 184 GLU F 139 110 LYS D Protein S 4 FT #SUB 186 186 LEU F 112 84 MET D Protein S 2 FT #SUB 187 187 GLU F 111 83 SER D Protein S 1 FT #SUB 187 187 GLU F 112 84 MET D Protein S 2 FT #SUB 187 187 GLU F 139 110 LYS D Protein S 1 FT #SUB 191 191 LYS F 110 82 ILE D Protein S 3 FT #SUB 193 193 ASP F 56 38 GLN D Protein B 1 FT #SUB 194 194 LEU F 51 34 PHE D Protein S 3 FT #SUB 194 194 LEU F 56 38 GLN D Protein A 5 FT #SUB 194 194 LEU F 94 67 ARG D Protein S 3 FT #SUB 195 195 VAL F 103 76 TYR D Protein S 3 FT #SUB 197 197 GLY F 56 38 GLN D Protein B 4 FT #SUB 198 198 ASP F 55 37 PRO D Protein S 3 FT #SUB 198 198 ASP F 56 38 GLN D Protein S 6 FT #SUB 203 203 HIS F 56 38 GLN D Protein S 2 FT #SUB 210 210 ILE F 102 75 ARG D Protein S 1 FT #SUB 213 213 GLU F 105 77A ARG D Protein A 5 FT #SUB 216 216 LYS F 105 77A ARG D Protein S 4 FT #SUB 217 217 ASP F 103 76 TYR D Protein S 5 FT #SUB 217 217 ASP F 105 77A ARG D Protein A 7 FT #SUB 220 220 SER F 105 77A ARG D Protein S 3 FT #SUB 221 221 ILE F 103 76 TYR D Protein S 1 FT #SUB 224 224 ASP F 103 76 TYR D Protein S 1 FT #SUB 228 228 GLU F 109 81 LYS D Protein S 2 FT #SUB 228 228 GLU F 139 110 LYS D Protein S 2 FT #SUB 277 277 VAL F 105 77A ARG D Protein S 2 FT #SUB 278 278 LYS F 105 77A ARG D Protein S 3 FT #SUB 278 278 LYS F 106 78 ASN D Protein S 1 FT #HET 25 25 TRP F 4 2001 IMD C S 2 FT #HET 84 84 TYR F 10 2000 IMD F S 5 FT #HET 100 100 VAL F 10 2000 IMD F S 2 FT #HET 101 101 LYS F 10 2000 IMD F B 2 FT #HET 103 103 LYS F 10 2000 IMD F S 2 FT #HET 106 106 ASP F 8 998 HG F S 3 FT #HET 106 106 ASP F 9 997 HG F S 2 FT #HET 233 233 LYS F 12 2004 IMD F S 6 FT #HET 234 234 PRO F 12 2004 IMD F B 2 FT #HET 237 237 ILE F 12 2004 IMD F S 1 FT #HET 247 247 TYR F 11 2002 IMD F S 6 CC SEQUENCE 281 AA (ATOM); CC IVTKDYSKES RVNENSKYGT LISDWYLKGR LTSLESQFIN ALGILETYHY GEKEYKDAKD CC KLMTRILGED QYLLERKKVQ YEEYKKLYKK YKEENPTSKV KMKTFDQYTI EDLTMREYNE CC LTESLKSAVK DFEKDVEIIE NQHHDLKPFT DEMEEKATAR VDDLANKAYS VYFAFVRDTQ CC HKTEALELKA KVDLVLGDED KPHRISNERI EKEMIKDLES IIEDFFIETG LNKPDNITSY CC DSSKHHYKNH SEGFEALVKE TREAVTNAND SWKTKTVKKY G CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES IVTKDYSKESRVNENSKYGTLISDWYLKGRLTSLESQFINALGILETYHY CC ATOM IVTKDYSKESRVNENSKYGTLISDWYLKGRLTSLESQFINALGILETYHY CC ************************************************** CC SEQRES GEKEYKDAKDKLMTRILGEDQYLLERKKVQYEEYKKLYKKYKEENPTSKV CC ATOM GEKEYKDAKDKLMTRILGEDQYLLERKKVQYEEYKKLYKKYKEENPTSKV CC ************************************************** CC SEQRES KMKTFDQYTIEDLTMREYNELTESLKSAVKDFEKDVEIIENQHHDLKPFT CC ATOM KMKTFDQYTIEDLTMREYNELTESLKSAVKDFEKDVEIIENQHHDLKPFT CC ************************************************** CC SEQRES DEMEEKATARVDDLANKAYSVYFAFVRDTQHKTEALELKAKVDLVLGDED CC ATOM DEMEEKATARVDDLANKAYSVYFAFVRDTQHKTEALELKAKVDLVLGDED CC ************************************************** CC SEQRES KPHRISNERIEKEMIKDLESIIEDFFIETGLNKPDNITSYDSSKHHYKNH CC ATOM KPHRISNERIEKEMIKDLESIIEDFFIETGLNKPDNITSYDSSKHHYKNH CC ************************************************** CC SEQRES SEGFEALVKETREAVTNANDSWKTKTVKKYG CC ATOM SEGFEALVKETREAVTNANDSWKTKTVKKYG CC ******************************* SQ SEQUENCE 281 AA; MW; CN; IVTKDYSKES RVNENSKYGT LISDWYLKGR LTSLESQFIN ALGILETYHY GEKEYKDAKD KLMTRILGED QYLLERKKVQ YEEYKKLYKK YKEENPTSKV KMKTFDQYTI EDLTMREYNE LTESLKSAVK DFEKDVEIIE NQHHDLKPFT DEMEEKATAR VDDLANKAYS VYFAFVRDTQ HKTEALELKA KVDLVLGDED KPHRISNERI EKEMIKDLES IIEDFFIETG LNKPDNITSY DSSKHHYKNH SEGFEALVKE TREAVTNAND SWKTKTVKKY G //