4KF1
Crystal structure of SsoPox W263I in complex with C10HTL
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004063 | molecular_function | aryldialkylphosphatase activity |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0009056 | biological_process | catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004063 | molecular_function | aryldialkylphosphatase activity |
| B | 0008270 | molecular_function | zinc ion binding |
| B | 0009056 | biological_process | catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0004063 | molecular_function | aryldialkylphosphatase activity |
| C | 0008270 | molecular_function | zinc ion binding |
| C | 0009056 | biological_process | catabolic process |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0004063 | molecular_function | aryldialkylphosphatase activity |
| D | 0008270 | molecular_function | zinc ion binding |
| D | 0009056 | biological_process | catabolic process |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0016788 | molecular_function | hydrolase activity, acting on ester bonds |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CO A 401 |
| Chain | Residue |
| A | KCX137 |
| A | HIS170 |
| A | HIS199 |
| A | FE2402 |
| A | HT5403 |
| A | HOH760 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE2 A 402 |
| Chain | Residue |
| A | ASP256 |
| A | CO401 |
| A | HT5403 |
| A | HOH760 |
| A | HIS22 |
| A | HIS24 |
| A | KCX137 |
| site_id | AC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE HT5 A 403 |
| Chain | Residue |
| A | HIS24 |
| A | TYR97 |
| A | KCX137 |
| A | HIS170 |
| A | HIS199 |
| A | ARG223 |
| A | ASP256 |
| A | CYS258 |
| A | ILE263 |
| A | THR265 |
| A | ALA266 |
| A | TYR270 |
| A | LYS271 |
| A | CO401 |
| A | FE2402 |
| A | PG4404 |
| A | HOH760 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PG4 A 404 |
| Chain | Residue |
| A | HT5403 |
| A | HOH710 |
| C | PHE104 |
| C | LEU107 |
| C | ASN108 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 405 |
| Chain | Residue |
| A | PRO4 |
| A | LEU5 |
| A | LYS8 |
| A | ASP9 |
| A | SER10 |
| A | LEU130 |
| A | ASN131 |
| A | LYS132 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 406 |
| Chain | Residue |
| A | ASN172 |
| A | ALA173 |
| A | HIS174 |
| A | ASP202 |
| A | HOH560 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 407 |
| Chain | Residue |
| A | ASP214 |
| A | LYS215 |
| A | HOH756 |
| C | LYS292 |
| C | ARG293 |
| C | GLY295 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 408 |
| Chain | Residue |
| A | GLY7 |
| A | LYS8 |
| A | LYS84 |
| A | GLY87 |
| C | THR186 |
| C | GLU187 |
| C | GLU188 |
| C | GLY189 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 409 |
| Chain | Residue |
| A | PHE18 |
| A | LYS292 |
| A | GLU298 |
| A | GOL415 |
| A | HOH627 |
| B | GLN58 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 410 |
| Chain | Residue |
| A | ASN160 |
| A | LYS164 |
| A | GLY189 |
| A | VAL190 |
| A | ASP191 |
| A | HOH577 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 411 |
| Chain | Residue |
| A | LEU102 |
| A | PHE104 |
| A | HOH626 |
| A | HOH684 |
| C | EDO407 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 412 |
| Chain | Residue |
| A | ASP101 |
| A | LEU102 |
| A | PRO103 |
| A | ASP148 |
| A | HOH732 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 413 |
| Chain | Residue |
| A | LYS62 |
| A | GLY87 |
| A | ASN89 |
| A | HOH731 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 414 |
| Chain | Residue |
| A | THR186 |
| A | VAL190 |
| A | PRO192 |
| A | HOH752 |
| D | MET1 |
| D | SER10 |
| D | HOH658 |
| site_id | BC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 415 |
| Chain | Residue |
| A | LYS292 |
| A | EDO409 |
| A | HOH595 |
| B | ARG55 |
| B | GLN58 |
| B | PHE59 |
| A | PHE59 |
| A | PHE284 |
| A | ILE288 |
| A | PRO289 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 416 |
| Chain | Residue |
| A | ARG55 |
| A | GLN58 |
| A | HOH747 |
| B | PHE18 |
| B | ILE288 |
| B | GLU298 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CO B 401 |
| Chain | Residue |
| B | KCX137 |
| B | HIS170 |
| B | HIS199 |
| B | ARG223 |
| B | FE2402 |
| B | HT5403 |
| B | HOH786 |
| site_id | BC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE2 B 402 |
| Chain | Residue |
| B | HIS22 |
| B | HIS24 |
| B | KCX137 |
| B | ASP256 |
| B | CO401 |
| B | HT5403 |
| B | HOH786 |
| site_id | CC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE HT5 B 403 |
| Chain | Residue |
| B | HIS24 |
| B | TYR97 |
| B | TYR99 |
| B | KCX137 |
| B | HIS170 |
| B | ARG223 |
| B | ASP256 |
| B | CYS258 |
| B | THR265 |
| B | LYS271 |
| B | ALA275 |
| B | CO401 |
| B | FE2402 |
| B | HOH676 |
| B | HOH744 |
| B | HOH786 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PG4 B 404 |
| Chain | Residue |
| B | TYR97 |
| B | TYR99 |
| D | LEU107 |
| D | ASN108 |
| site_id | CC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 405 |
| Chain | Residue |
| B | ASN160 |
| B | LYS164 |
| B | GLY189 |
| B | ASP191 |
| B | LYS194 |
| B | HOH602 |
| B | HOH757 |
| site_id | CC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 406 |
| Chain | Residue |
| B | PRO4 |
| B | LEU5 |
| B | LYS8 |
| B | ASP9 |
| B | SER10 |
| B | LEU130 |
| B | ASN131 |
| B | LYS132 |
| B | HOH616 |
| site_id | CC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 407 |
| Chain | Residue |
| B | HIS120 |
| B | GLU124 |
| B | GLY125 |
| B | GLN127 |
| B | GLY128 |
| B | THR129 |
| B | HOH590 |
| B | HOH619 |
| site_id | CC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 408 |
| Chain | Residue |
| B | ASN172 |
| B | ALA173 |
| B | HIS174 |
| B | ASP202 |
| B | PHE229 |
| B | HOH544 |
| site_id | CC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CO C 401 |
| Chain | Residue |
| C | KCX137 |
| C | HIS170 |
| C | HIS199 |
| C | FE2402 |
| C | HT5403 |
| C | HOH762 |
| site_id | CC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE2 C 402 |
| Chain | Residue |
| C | HIS22 |
| C | HIS24 |
| C | KCX137 |
| C | ASP256 |
| C | CO401 |
| C | HT5403 |
| C | HOH762 |
| site_id | CC9 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE HT5 C 403 |
| Chain | Residue |
| C | HIS24 |
| C | TYR97 |
| C | KCX137 |
| C | HIS170 |
| C | ARG223 |
| C | ASP256 |
| C | CYS258 |
| C | THR265 |
| C | ALA266 |
| C | LYS271 |
| C | CO401 |
| C | FE2402 |
| C | PG4404 |
| C | HOH717 |
| C | HOH762 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PG4 C 404 |
| Chain | Residue |
| A | PHE104 |
| A | LEU107 |
| A | ASN108 |
| C | TYR99 |
| C | HT5403 |
| site_id | DC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 405 |
| Chain | Residue |
| C | ASN160 |
| C | LYS164 |
| C | GLY189 |
| C | VAL190 |
| C | ASP191 |
| C | LYS194 |
| C | HOH658 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 406 |
| Chain | Residue |
| C | ASP233 |
| C | ASN236 |
| C | PHE290 |
| C | HOH628 |
| site_id | DC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO C 407 |
| Chain | Residue |
| A | PHE104 |
| A | EDO411 |
| C | ILE98 |
| C | TYR99 |
| C | ILE100 |
| C | ASP101 |
| C | HOH537 |
| C | HOH590 |
| site_id | DC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL C 408 |
| Chain | Residue |
| C | PRO4 |
| C | LEU5 |
| C | LYS8 |
| C | ASP9 |
| C | SER10 |
| C | LEU130 |
| C | ASN131 |
| C | LYS132 |
| site_id | DC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL C 409 |
| Chain | Residue |
| C | ASP214 |
| C | GLY246 |
| C | ASP249 |
| C | LYS250 |
| site_id | DC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL C 410 |
| Chain | Residue |
| C | ASN172 |
| C | ALA173 |
| C | HIS174 |
| C | ASP202 |
| C | PHE229 |
| C | HOH544 |
| site_id | DC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CO D 401 |
| Chain | Residue |
| D | KCX137 |
| D | HIS170 |
| D | HIS199 |
| D | ARG223 |
| D | FE2402 |
| D | HT5403 |
| D | HOH732 |
| site_id | DC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE2 D 402 |
| Chain | Residue |
| D | HIS22 |
| D | HIS24 |
| D | KCX137 |
| D | ASP256 |
| D | CO401 |
| D | HT5403 |
| D | HOH732 |
| site_id | EC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE HT5 D 403 |
| Chain | Residue |
| D | HIS24 |
| D | TYR97 |
| D | TYR99 |
| D | KCX137 |
| D | HIS170 |
| D | ARG223 |
| D | ASP256 |
| D | CYS258 |
| D | ALA266 |
| D | LYS271 |
| D | ALA275 |
| D | CO401 |
| D | FE2402 |
| D | PG4404 |
| D | HOH558 |
| D | HOH718 |
| D | HOH719 |
| D | HOH727 |
| D | HOH732 |
| site_id | EC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PG4 D 404 |
| Chain | Residue |
| B | PHE104 |
| B | LEU107 |
| B | ASN108 |
| D | TYR99 |
| D | HT5403 |
| D | HOH667 |
| site_id | EC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL D 405 |
| Chain | Residue |
| C | GLY295 |
| C | ASN297 |
| C | VAL300 |
| D | GLU12 |
| D | ASP15 |
| site_id | EC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL D 406 |
| Chain | Residue |
| D | ASN160 |
| D | LYS164 |
| D | GLY189 |
| D | ASP191 |
| D | LYS194 |
| site_id | EC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL D 407 |
| Chain | Residue |
| B | PHE104 |
| D | ILE98 |
| D | TYR99 |
| D | ILE100 |
| D | ASP101 |
| D | HOH532 |
| D | HOH589 |
| D | HOH652 |
| site_id | EC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO D 408 |
| Chain | Residue |
| D | TYR247 |
| D | ASP249 |
| D | LYS250 |
| site_id | EC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL D 409 |
| Chain | Residue |
| D | ASN172 |
| D | ALA173 |
| D | HIS174 |
| D | ASP202 |
| D | PHE229 |
| D | HOH591 |
| D | HOH708 |
| site_id | EC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 410 |
| Chain | Residue |
| D | ARG33 |
| D | PRO37 |
| D | TYR40 |
| D | HOH595 |
| site_id | EC9 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GOL D 411 |
| Chain | Residue |
| A | GLU187 |
| D | LEU5 |
| D | GLY7 |
| D | LYS8 |
| D | LEU130 |
| D | ASN131 |
| D | HOH514 |
| D | HOH542 |
| D | HOH705 |
| D | HOH706 |
| D | HOH729 |
Functional Information from PROSITE/UniProt
| site_id | PS01322 |
| Number of Residues | 9 |
| Details | PHOSPHOTRIESTERASE_1 Phosphotriesterase family signature 1. GfTLiHEHL |
| Chain | Residue | Details |
| A | GLY17-LEU25 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:18486146, ECO:0007744|PDB:2VC5, ECO:0007744|PDB:2VC7, ECO:0007744|PDB:3UF9, ECO:0007744|PDB:4KER, ECO:0007744|PDB:4KES, ECO:0007744|PDB:4KET, ECO:0007744|PDB:4KEU, ECO:0007744|PDB:4KEV, ECO:0007744|PDB:4KEZ, ECO:0007744|PDB:4KF1 |
| Chain | Residue | Details |
| A | HIS22 | |
| B | ASP256 | |
| C | HIS22 | |
| C | HIS24 | |
| C | HIS170 | |
| C | HIS199 | |
| C | ASP256 | |
| D | HIS22 | |
| D | HIS24 | |
| D | HIS170 | |
| D | HIS199 | |
| A | HIS24 | |
| D | ASP256 | |
| A | HIS170 | |
| A | HIS199 | |
| A | ASP256 | |
| B | HIS22 | |
| B | HIS24 | |
| B | HIS170 | |
| B | HIS199 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: via carbamate group => ECO:0000269|PubMed:18486146, ECO:0007744|PDB:2VC5, ECO:0007744|PDB:2VC7, ECO:0007744|PDB:3UF9, ECO:0007744|PDB:4KER, ECO:0007744|PDB:4KES, ECO:0007744|PDB:4KET, ECO:0007744|PDB:4KEU, ECO:0007744|PDB:4KEV, ECO:0007744|PDB:4KEZ, ECO:0007744|PDB:4KF1 |
| Chain | Residue | Details |
| A | KCX137 | |
| B | KCX137 | |
| C | KCX137 | |
| D | KCX137 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-carboxylysine => ECO:0000255|PROSITE-ProRule:PRU00679, ECO:0000269|PubMed:18486146, ECO:0007744|PDB:2VC5, ECO:0007744|PDB:2VC7, ECO:0007744|PDB:3UF9, ECO:0007744|PDB:4KER, ECO:0007744|PDB:4KES, ECO:0007744|PDB:4KET, ECO:0007744|PDB:4KEU, ECO:0007744|PDB:4KEV, ECO:0007744|PDB:4KEZ, ECO:0007744|PDB:4KF1 |
| Chain | Residue | Details |
| A | KCX137 | |
| B | KCX137 | |
| C | KCX137 | |
| D | KCX137 |
