1XR3
Actinorhodin Polyketide Ketoreductase with NADP and the Inhibitor Isoniazid bound
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0017000 | biological_process | antibiotic biosynthetic process |
| A | 0032787 | biological_process | monocarboxylic acid metabolic process |
| B | 0008202 | biological_process | steroid metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0017000 | biological_process | antibiotic biosynthetic process |
| B | 0032787 | biological_process | monocarboxylic acid metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAP A 262 |
| Chain | Residue |
| A | GLY13 |
| A | ASP63 |
| A | VAL64 |
| A | ASN90 |
| A | ALA91 |
| A | GLY92 |
| A | ILE142 |
| A | ALA143 |
| A | SER144 |
| A | TYR157 |
| A | LYS161 |
| A | THR15 |
| A | PRO187 |
| A | GLY188 |
| A | VAL190 |
| A | THR192 |
| A | PRO193 |
| A | MET194 |
| B | ARG51 |
| A | SER16 |
| A | GLY17 |
| A | ILE18 |
| A | ALA37 |
| A | ARG38 |
| A | GLY39 |
| A | CYS62 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ISZ A 263 |
| Chain | Residue |
| A | SER144 |
| A | THR145 |
| A | GLY146 |
| A | GLN149 |
| A | VAL151 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAP B 301 |
| Chain | Residue |
| B | GLY13 |
| B | THR15 |
| B | SER16 |
| B | GLY17 |
| B | ILE18 |
| B | ALA37 |
| B | ARG38 |
| B | GLY39 |
| B | CYS62 |
| B | ASP63 |
| B | VAL64 |
| B | ASN90 |
| B | ALA91 |
| B | ILE142 |
| B | ALA143 |
| B | SER144 |
| B | TYR157 |
| B | LYS161 |
| B | PRO187 |
| B | GLY188 |
| B | VAL190 |
| B | THR192 |
| B | PRO193 |
| B | MET194 |
| B | ISZ302 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ISZ B 302 |
| Chain | Residue |
| B | SER144 |
| B | THR145 |
| B | GLY146 |
| B | VAL151 |
| B | TYR157 |
| B | GLY188 |
| B | MET194 |
| B | NAP301 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. StggkqgvvhAapYSASKHGVvGFTkALG |
| Chain | Residue | Details |
| A | SER144-GLY172 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10001","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 22 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15458634","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15544323","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1W4Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1X7G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1X7H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XR3","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15458634","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15544323","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1X7G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1X7H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XR3","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| A | ASN114 | |
| A | LYS161 | |
| A | SER144 | |
| A | TYR157 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| B | ASN114 | |
| B | LYS161 | |
| B | SER144 | |
| B | TYR157 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| A | ALA154 | |
| A | LYS161 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| B | ALA154 | |
| B | LYS161 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| A | LYS161 | |
| A | TYR157 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| B | LYS161 | |
| B | TYR157 |
