3RC9
Crystal Structure of the K102A mutant of KijD10, a 3-ketoreductase from Actinomadura kijaniata in complex with TDP-benzene and NADP
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE NAP A 333 |
| Chain | Residue |
| A | GLY16 |
| A | PRO80 |
| A | LEU83 |
| A | HIS84 |
| A | ALA102 |
| A | PRO103 |
| A | VAL175 |
| A | ASP182 |
| A | TLO337 |
| A | HOH462 |
| A | HOH464 |
| A | CYS17 |
| A | ALA18 |
| A | SER42 |
| A | ARG43 |
| A | ARG47 |
| A | TYR63 |
| A | PRO78 |
| A | LEU79 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 334 |
| Chain | Residue |
| A | ASN256 |
| A | HIS270 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA A 335 |
| Chain | Residue |
| A | ARG323 |
| A | THR324 |
| A | ALA326 |
| A | ASP328 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PO4 A 336 |
| Chain | Residue |
| A | HIS285 |
| A | LYS290 |
| A | HOH423 |
| site_id | AC5 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE TLO A 337 |
| Chain | Residue |
| A | ILE20 |
| A | ARG23 |
| A | ARG24 |
| A | PHE159 |
| A | ILE161 |
| A | PRO162 |
| A | TYR186 |
| A | TYR240 |
| A | THR260 |
| A | GLN274 |
| A | NAP333 |
| A | HOH503 |
| A | HOH519 |
| A | HOH524 |
| A | HOH535 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE TLO A 338 |
| Chain | Residue |
| A | MET126 |
| A | LEU132 |
| A | HIS133 |
| A | HIS137 |
| A | ARG138 |
| A | ALA141 |
| A | ARG189 |
| A | LEU193 |
| A | GLU307 |
| A | TRP308 |
| A | ASP311 |
| A | HOH360 |
| A | HOH361 |
| A | HOH370 |
| A | HOH420 |
| A | HOH483 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor => ECO:0000269|PubMed:21598943, ECO:0007744|PDB:3RBV, ECO:0007744|PDB:3RC1, ECO:0007744|PDB:3RC2, ECO:0007744|PDB:3RC7, ECO:0007744|PDB:3RC9, ECO:0007744|PDB:3RCB |
| Chain | Residue | Details |
| A | ALA102 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:21598943, ECO:0007744|PDB:3RBV, ECO:0007744|PDB:3RC1, ECO:0007744|PDB:3RC2, ECO:0007744|PDB:3RC7, ECO:0007744|PDB:3RC9, ECO:0007744|PDB:3RCB |
| Chain | Residue | Details |
| A | CYS17 | |
| A | SER42 | |
| A | TYR63 | |
| A | ASP182 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:21598943, ECO:0007744|PDB:3RC1, ECO:0007744|PDB:3RC2, ECO:0007744|PDB:3RC7, ECO:0007744|PDB:3RC9, ECO:0007744|PDB:3RCB |
| Chain | Residue | Details |
| A | ARG24 | |
| A | TYR240 | |
| A | THR260 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:21598943, ECO:0007744|PDB:3RBV, ECO:0007744|PDB:3RC1, ECO:0007744|PDB:3RC2, ECO:0007744|PDB:3RC7, ECO:0007744|PDB:3RCB |
| Chain | Residue | Details |
| A | LEU79 | |
| A | HIS84 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:21598943, ECO:0007744|PDB:3RC1, ECO:0007744|PDB:3RC7 |
| Chain | Residue | Details |
| A | ARG170 |
