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3HLE

Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid

Functional Information from GO Data
ChainGOidnamespacecontents
A0016218molecular_functionpolyketide synthase activity
A0016746molecular_functionacyltransferase activity
A0016787molecular_functionhydrolase activity
A0017000biological_processantibiotic biosynthetic process
A0030639biological_processpolyketide biosynthetic process
A0050832biological_processdefense response to fungus
A0140735biological_processlovastatin biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE MJA A 500
ChainResidue
AALA76
AHOH519
AHOH553
APHE148
AARG173
ATYR188
AILE325
APHE363
AGLU388
AHOH427
AHOH453

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DTT A 414
ChainResidue
APRO106
AASP107
APRO323
AASN326
AMET333
AASN391
AARG396

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Acyl-ester intermediate => ECO:0000269|PubMed:17113998, ECO:0000269|PubMed:19875080
ChainResidueDetails
AALA76

site_idSWS_FT_FI2
Number of Residues7
DetailsBINDING:
ChainResidueDetails
AARG73
AARG173
ATYR188
ATYR258
AGLY366
AGLU388
ATRP390

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PDB entries from 2024-07-31

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