3O4P
DFPase at 0.85 Angstrom resolution (H atoms included)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 401 |
| Chain | Residue |
| A | GLU37 |
| A | GLY312 |
| A | ILE313 |
| A | PHE314 |
| A | DXE442 |
| A | HOH619 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 403 |
| Chain | Residue |
| A | ASP143 |
| A | LYS310 |
| A | HOH559 |
| A | HOH716 |
| A | HOH728 |
| A | PRO8 |
| A | LEU9 |
| A | PHE10 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE MES A 411 |
| Chain | Residue |
| A | GLU7 |
| A | LYS43 |
| A | PRO44 |
| A | ASN67 |
| A | GLY68 |
| A | TYR69 |
| A | ARG91 |
| A | ARG264 |
| A | PHE311 |
| A | ME2471 |
| A | HOH508 |
| A | HOH628 |
| A | HOH728 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE MES A 412 |
| Chain | Residue |
| A | GLU65 |
| A | THR102 |
| A | PHE103 |
| A | GLN258 |
| A | HOH598 |
| A | HOH687 |
| A | HOH830 |
| A | HOH1129 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 421 |
| Chain | Residue |
| A | LYS57 |
| A | VAL167 |
| A | ASP168 |
| A | ILE211 |
| A | MXE451 |
| A | HOH859 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE EDO A 422 |
| Chain | Residue |
| A | PHE86 |
| A | PHE124 |
| A | PHE158 |
| A | THR159 |
| A | THR160 |
| A | PEG461 |
| A | HOH517 |
| A | HOH692 |
| A | HOH702 |
| A | HOH858 |
| A | HOH979 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 423 |
| Chain | Residue |
| A | ARG115 |
| A | GLU138 |
| A | ASN289 |
| A | TRP293 |
| A | HOH516 |
| A | HOH617 |
| A | HOH959 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 424 |
| Chain | Residue |
| A | PRO196 |
| A | LYS198 |
| A | THR223 |
| A | HIS224 |
| A | PGE433 |
| A | HOH647 |
| A | HOH970 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 425 |
| Chain | Residue |
| A | HIS219 |
| A | ILE220 |
| A | PRO221 |
| A | GLN258 |
| A | HOH876 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 426 |
| Chain | Residue |
| A | MET148 |
| A | ASP184 |
| A | GLU225 |
| A | PHE314 |
| A | PGE433 |
| A | HOH581 |
| A | HOH906 |
| A | HOH1001 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 427 |
| Chain | Residue |
| A | GLY256 |
| A | GLY257 |
| A | GLN258 |
| A | LYS260 |
| A | PEG462 |
| A | HOH877 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 428 |
| Chain | Residue |
| A | GLU37 |
| A | HOH1082 |
| A | HOH1125 |
| site_id | BC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PGE A 433 |
| Chain | Residue |
| A | HOH1103 |
| A | MET148 |
| A | GLN172 |
| A | ASP184 |
| A | PRO196 |
| A | THR197 |
| A | EDO424 |
| A | EDO426 |
| A | HOH644 |
| A | HOH826 |
| A | HOH970 |
| A | HOH1102 |
| site_id | BC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PGE A 434 |
| Chain | Residue |
| A | ILE106 |
| A | PHE158 |
| A | GLY162 |
| A | GLN163 |
| A | THR279 |
| A | LYS280 |
| A | THR281 |
| A | GLU296 |
| A | HOH521 |
| A | HOH544 |
| A | HOH685 |
| A | HOH735 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DXE A 442 |
| Chain | Residue |
| A | TRP244 |
| A | LYS269 |
| A | HIS287 |
| A | GOL401 |
| A | HOH734 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE DXE A 443 |
| Chain | Residue |
| A | PRO8 |
| A | LYS280 |
| A | GLU296 |
| A | TRP297 |
| A | PEG461 |
| A | HOH532 |
| A | HOH770 |
| A | HOH893 |
| site_id | BC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE MXE A 451 |
| Chain | Residue |
| A | LYS58 |
| A | THR59 |
| A | ASN213 |
| A | LYS214 |
| A | EDO421 |
| A | HOH569 |
| A | HOH768 |
| A | HOH859 |
| A | HOH923 |
| site_id | BC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MXE A 452 |
| Chain | Residue |
| A | LYS151 |
| A | THR169 |
| A | ALA170 |
| A | PHE171 |
| A | GLU194 |
| A | LYS214 |
| A | HOH531 |
| site_id | CC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PEG A 461 |
| Chain | Residue |
| A | GLN84 |
| A | ILE106 |
| A | LYS280 |
| A | EDO422 |
| A | DXE443 |
| A | HOH639 |
| A | HOH702 |
| A | HOH832 |
| A | HOH858 |
| site_id | CC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PEG A 462 |
| Chain | Residue |
| A | LYS63 |
| A | GLU65 |
| A | ASP255 |
| A | GLY256 |
| A | GLY257 |
| A | EDO427 |
| A | HOH573 |
| A | HOH629 |
| A | HOH844 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ME2 A 471 |
| Chain | Residue |
| A | VAL5 |
| A | GLU7 |
| A | HIS248 |
| A | ARG264 |
| A | MES411 |
| A | HOH976 |
| site_id | CC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE CA A 491 |
| Chain | Residue |
| A | GLU21 |
| A | ASN120 |
| A | ASN175 |
| A | ASP229 |
| A | HOH502 |
| A | HOH524 |
| A | HOH604 |
| site_id | CC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA A 492 |
| Chain | Residue |
| A | ASP232 |
| A | LEU273 |
| A | HIS274 |
| A | HOH509 |
| A | HOH615 |
| A | HOH623 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:15966726 |
| Chain | Residue | Details |
| A | HIS287 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000305 |
| Chain | Residue | Details |
| A | GLU21 | |
| A | ASN120 | |
| A | ASN175 | |
| A | ASP229 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11435114, ECO:0000269|PubMed:14501113 |
| Chain | Residue | Details |
| A | ASP232 | |
| A | LEU273 | |
| A | HIS274 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 686 |
| Chain | Residue | Details |
| A | GLU21 | increase nucleophilicity, metal ligand, proton acceptor |
| A | GLU37 | electrostatic stabiliser, increase basicity |
| A | ASN120 | metal ligand |
| A | ASN175 | metal ligand |
| A | ASP229 | covalently attached, electrofuge, electrophile, increase nucleophilicity, metal ligand, nucleophile, proton acceptor |
| A | HIS287 | increase nucleophilicity, proton acceptor |
