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 | 0016740 | molecular_function | transferase activity |
| 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 | 0016740 | molecular_function | transferase activity |
| 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 | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"22524624","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27815501","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29025976","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Acyl-thioester intermediate","evidences":[{"source":"PubMed","id":"22524624","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27815501","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"29025976","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22524624","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29025976","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"SEP-2017","submissionDatabase":"PDB data bank","title":"The role of OleA His285 in substrate coordination of long-chain acyl-CoA.","authors":["Jensen M.R.","Goblirsch B.R.","Esler M.A.","Christenson J.K.","Mohamed F.A.","Wackett L.P.","Wilmot C.M."]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Site: {"description":"Important for activity","evidences":[{"source":"PubMed","id":"29430657","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
