3S20
Crystal structure of cerulenin bound Xanthomonas campestri OleA (soak)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0016746 | molecular_function | acyltransferase activity |
| A | 0044550 | biological_process | secondary metabolite biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004315 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] synthase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0016746 | molecular_function | acyltransferase activity |
| B | 0044550 | biological_process | secondary metabolite biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE CER A 1 |
| Chain | Residue |
| A | ALA142 |
| A | GLY346 |
| A | SER347 |
| A | HOH539 |
| A | HOH540 |
| A | HOH581 |
| B | GLU117 |
| B | HOH486 |
| A | CYS143 |
| A | CYS239 |
| A | LEU253 |
| A | HIS285 |
| A | VAL287 |
| A | HIS291 |
| A | ASN315 |
| A | ILE345 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A 359 |
| Chain | Residue |
| A | LYS297 |
| A | SER298 |
| A | HOH590 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG A 360 |
| Chain | Residue |
| A | GLU117 |
| B | HOH551 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE CER B 1 |
| Chain | Residue |
| A | HOH3 |
| A | GLU117 |
| B | ALA142 |
| B | CYS143 |
| B | LEU253 |
| B | ILE258 |
| B | HIS285 |
| B | VAL287 |
| B | ASN315 |
| B | GLY346 |
| B | SER347 |
| B | HOH485 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:22524624, ECO:0000305|PubMed:27815501, ECO:0000305|PubMed:29025976 |
| Chain | Residue | Details |
| A | GLU117 | |
| B | GLU117 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000305|PubMed:22524624, ECO:0000305|PubMed:27815501, ECO:0000305|PubMed:29025976 |
| Chain | Residue | Details |
| A | CYS143 | |
| B | CYS143 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22524624, ECO:0000269|PubMed:29025976, ECO:0000269|Ref.7 |
| Chain | Residue | Details |
| B | HIS38 | |
| B | ASP76 | |
| A | HIS38 | |
| A | ASP76 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | SITE: Important for activity => ECO:0000305|PubMed:29430657 |
| Chain | Residue | Details |
| A | HIS285 | |
| B | HIS285 |
