Brand  (β version)

PDB ID: 3V4X

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Ligands
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F24 (7r,12r,13r)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid PoSSuM
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Structure summary

Code : 3V4X   PDBj   RCSB PDB   PDBe
Header : Transferase/Inhibitor
Title : The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin
Release Data : 2012-04-25
Compound :
mol_id molecule chains
1 HMG-CoA synthase A,B,C,D
ec: 2.3.3.10
mutation: A163S
Source :
mol_id organism_scientific expression_system
1 Enterococcus faecalis  (taxid:1351) Escherichia coli  (taxid:469008)
strain: ATCC 4200
gene: mvaS
expression_system_strain: BL21(DE3)
expression_system_vector_type: PLASMID
expression_system_plasmid: pT7HMT
Authors : Skaff, D.A., Ramyar, K.X., McWhorter, W.J., Geisbrecht, B.V., Miziorko, H.M.
Keywords : HYDROXYMETHYLGLUTARYL-CoA SYNTHASE, Hymeglusin covalent adduct, Transferase-Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.952 Å )
Citation :

Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.

Skaff, D.A.,Ramyar, K.X.,McWhorter, W.J.  et al.
(2012)  Biochemistry  51 : 4713 - 4722

PubMed: 22510038
DOI: 10.1021/bi300037k

Reaction

Chain : A, B, C, D
UniProt : Q9FD71 (HMGCS_ENTFL)
Reaction: EC: Evidence:
Physiological Direction:
acetoacetyl-CoA + acetyl-CoA + H2O = (3S)-hydroxy-3- methylglutaryl-CoA + CoA + H(+) 2.3.3.10 PubMed:12107122, PubMed:23794621
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