1KQB
Structure of Nitroreductase from E. cloacae complex with inhibitor benzoate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005829 | cellular_component | cytosol |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0046256 | biological_process | 2,4,6-trinitrotoluene catabolic process |
| A | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| B | 0005829 | cellular_component | cytosol |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0046256 | biological_process | 2,4,6-trinitrotoluene catabolic process |
| B | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| C | 0005829 | cellular_component | cytosol |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0046256 | biological_process | 2,4,6-trinitrotoluene catabolic process |
| C | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
| D | 0005829 | cellular_component | cytosol |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0046256 | biological_process | 2,4,6-trinitrotoluene catabolic process |
| D | 0046857 | molecular_function | oxidoreductase activity, acting on other nitrogenous compounds as donors, with NAD or NADP as acceptor |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE FMN A 518 |
| Chain | Residue |
| A | ARG10 |
| A | GLY166 |
| A | LYS205 |
| A | ARG207 |
| A | HOH538 |
| A | HOH554 |
| A | HOH562 |
| A | HOH586 |
| B | PRO38 |
| B | SER39 |
| B | SER40 |
| A | HIS11 |
| B | ASN42 |
| B | LEU145 |
| B | BEZ525 |
| A | SER12 |
| A | LYS14 |
| A | ASN71 |
| A | LYS74 |
| A | PRO163 |
| A | ILE164 |
| A | GLU165 |
| site_id | AC2 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE FMN B 519 |
| Chain | Residue |
| A | PRO38 |
| A | SER39 |
| A | SER40 |
| A | ASN42 |
| A | GLN142 |
| A | LEU145 |
| A | BEZ524 |
| B | ARG10 |
| B | HIS11 |
| B | SER12 |
| B | LYS14 |
| B | ASN71 |
| B | LYS74 |
| B | TYR144 |
| B | PRO163 |
| B | ILE164 |
| B | GLU165 |
| B | GLY166 |
| B | ASN200 |
| B | LYS205 |
| B | ARG207 |
| B | HOH528 |
| B | HOH539 |
| B | HOH544 |
| B | HOH552 |
| site_id | AC3 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE FMN C 520 |
| Chain | Residue |
| C | ARG10 |
| C | HIS11 |
| C | SER12 |
| C | LYS14 |
| C | ASN71 |
| C | LYS74 |
| C | TYR144 |
| C | PRO163 |
| C | ILE164 |
| C | GLU165 |
| C | GLY166 |
| C | LYS205 |
| C | ARG207 |
| C | HOH536 |
| C | HOH538 |
| C | HOH551 |
| C | HOH555 |
| C | HOH567 |
| D | PRO38 |
| D | SER39 |
| D | SER40 |
| D | ASN42 |
| D | GLN142 |
| D | LEU145 |
| D | BEZ523 |
| D | HOH530 |
| site_id | AC4 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE FMN D 521 |
| Chain | Residue |
| C | PRO38 |
| C | SER39 |
| C | SER40 |
| C | ASN42 |
| C | GLN142 |
| C | LEU145 |
| C | BEZ522 |
| D | ARG10 |
| D | HIS11 |
| D | SER12 |
| D | LYS14 |
| D | ASN71 |
| D | LYS74 |
| D | TYR144 |
| D | PRO163 |
| D | ILE164 |
| D | GLU165 |
| D | GLY166 |
| D | ASN200 |
| D | LYS205 |
| D | ARG207 |
| D | HOH528 |
| D | HOH531 |
| D | HOH536 |
| D | HOH551 |
| D | HOH556 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE BEZ C 522 |
| Chain | Residue |
| C | SER40 |
| C | THR41 |
| C | PHE124 |
| C | HOH636 |
| D | GLY166 |
| D | FMN521 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BEZ D 523 |
| Chain | Residue |
| C | GLY166 |
| C | FMN520 |
| D | SER40 |
| D | THR41 |
| D | PHE124 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE BEZ A 524 |
| Chain | Residue |
| A | SER40 |
| A | THR41 |
| A | PHE124 |
| B | PHE70 |
| B | GLY166 |
| B | FMN519 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE BEZ B 525 |
| Chain | Residue |
| A | GLY166 |
| A | FMN518 |
| B | SER40 |
| B | THR41 |
| B | PHE124 |
| B | HOH554 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 28 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28578873","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5J8D","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"28578873","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"5J8D","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
