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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
A0016740molecular_functiontransferase activity
A0016746molecular_functionacyltransferase activity
B0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
B0006084biological_processacetyl-CoA metabolic process
B0008299biological_processisoprenoid biosynthetic process
B0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
B0016740molecular_functiontransferase activity
B0016746molecular_functionacyltransferase activity
C0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
C0006084biological_processacetyl-CoA metabolic process
C0008299biological_processisoprenoid biosynthetic process
C0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
C0016740molecular_functiontransferase activity
C0016746molecular_functionacyltransferase activity
D0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
D0006084biological_processacetyl-CoA metabolic process
D0008299biological_processisoprenoid biosynthetic process
D0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
D0016740molecular_functiontransferase activity
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 Residues32
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P54868
ChainResidueDetails
AASP29
BSNC111
BTHR152
BSER201
BHIS233
BLYS242
BASN275
BSER308
CASP29
CSNC111
CTHR152
ASNC111
CSER201
CHIS233
CLYS242
CASN275
CSER308
DASP29
DSNC111
DTHR152
DSER201
DHIS233
ATHR152
DLYS242
DASN275
DSER308
ASER201
AHIS233
ALYS242
AASN275
ASER308
BASP29

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PDB entries from 2025-04-02

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