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3V4N

The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthatse, mvaS, by Hymeglusin

Functional Information from GO Data
ChainGOidnamespacecontents
A0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
A0006084biological_processacetyl-CoA metabolic process
A0008299biological_processisoprenoid biosynthetic process
A0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
A0016746molecular_functionacyltransferase activity
B0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
B0006084biological_processacetyl-CoA metabolic process
B0008299biological_processisoprenoid biosynthetic process
B0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
B0016746molecular_functionacyltransferase activity
C0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
C0006084biological_processacetyl-CoA metabolic process
C0008299biological_processisoprenoid biosynthetic process
C0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
C0016746molecular_functionacyltransferase activity
D0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
D0006084biological_processacetyl-CoA metabolic process
D0008299biological_processisoprenoid biosynthetic process
D0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
D0016746molecular_functionacyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE BTB B 401
ChainResidue
BGLU60
BALA61
BLEU63

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: Proton donor/acceptor => ECO:0000250
ChainResidueDetails
AGLU79
AHIS233
BGLU79
BHIS233
CGLU79
CHIS233
DGLU79
DHIS233

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: Acyl-thioester intermediate => ECO:0000269|PubMed:16245942
ChainResidueDetails
ASNC111
BSNC111
CSNC111
DSNC111

site_idSWS_FT_FI3
Number of Residues12
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
AASP29
DASP29
DSER201
DASN275
ASER201
AASN275
BASP29
BSER201
BASN275
CASP29
CSER201
CASN275

223166

PDB entries from 2024-07-31

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