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3S21

Crystal structure of cerulenin bound Xanthomonas campestri OleA (co-crystal)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004315molecular_function3-oxoacyl-[acyl-carrier-protein] synthase activity
A0005737cellular_componentcytoplasm
A0006633biological_processfatty acid biosynthetic process
A0016740molecular_functiontransferase activity
A0016746molecular_functionacyltransferase activity
A0044550biological_processsecondary metabolite biosynthetic process
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 1
ChainResidue
AHIS38
AASP76
AHOH392
AHOH412
AHOH422
AHOH425

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE CER A 359
ChainResidue
ALEU254
AHIS285
AVAL287
AASN315
AGLY346
ASER347
AHOH467
AGLU117
AALA142
ACYS143

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 360
ChainResidue
AGLU234
ATRP235
AGLU256
ALYS259
ALYS263
AHOH458
AHOH468

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 361
ChainResidue
AASP132
AHIS133
AARG230
ALYS263
AHOH474

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive 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"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive 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"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsBinding 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."]}}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsSite: {"description":"Important for activity","evidences":[{"source":"PubMed","id":"29430657","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

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PDB entries from 2025-07-23

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