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3HLD

Simvastatin Synthase (LovD), from Aspergillus terreus, S5 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 Residues15
DetailsBINDING SITE FOR RESIDUE MJA A 501
ChainResidue
AARG73
ATRP390
AFMT414
AMJA502
AHOH513
AHOH586
AHOH682
ASER76
APHE148
AARG173
ATYR188
ATYR258
ATYR327
AGLY366
AGLU388

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MJA A 502
ChainResidue
AARG103
APHE148
AARG201
AMJA501

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE FMT A 414
ChainResidue
AALA75
ASER76
AGLY366
AMJA501

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT A 415
ChainResidue
AASP262
APHE267
AGLN270
AGLY271
AHOH575
AHOH600

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE FMT A 416
ChainResidue
AASN45
ATYR46
ATHR47
AARG48
AASN60
AASN61
AGLN62
AHOH461
AHOH608

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE FMT A 417
ChainResidue
AARG73
ATYR258
AGLN270
AHOH584
AHOH682

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
ASER76

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

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PDB entries from 2024-08-07

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