Brand  (β version)

PDB ID: 3SAD

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Ligands
Code Name Style Show Link
040 4-(2-methylphenyl)-2,4-dioxobutanoic acid PoSSuM
MG Magnesium ion PoSSuM
Non-standard Residues
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Glycosylation
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Modification
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Structure summary

Code : 3SAD   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor
Release Data : 2012-11-07
Compound :
mol_id molecule chains
1 Malate synthase G A
ec: 2.3.3.9
mutation: c619A
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis  (taxid:1773) Escherichia coli  (taxid:562)
gene: glcB, Rv1837c, MT1885, MTCY1A11.06
Authors : Krieger, I.V., Sun, Q., Sacchettini, J.C., Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Keywords : inhibitor complex, Structural Genomics, Mycobacterium Tuberculosis Structural Proteomics Project, XMTB, malate synthase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.820 Å )
Citation :

Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase.

Krieger, I.V.,Freundlich, J.S.,Gawandi, V.B.  et al.
(2012)  Chem.Biol.  19 : 1556 - 1567

PubMed: 23261599
DOI: 10.1016/j.chembiol.2012.09.018

Reaction

Chain : A
UniProt : P0A5J4 (MASZ_MYCTU)
Reaction: EC: Evidence:
Physiological Direction:
glyoxylate + acetyl-CoA + H2O = (S)-malate + CoA + H(+) 2.3.3.9 HAMAP-Rule:MF_00641
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Cofactor: Evidence: Note:
Mn(2+) ECO:0000255 | HAMAP-Rule:MF_00641
ECO:0000269 | PubMed:16877713
ECO:0000269 | PubMed:23261599
ECO:0000255 | HAMAP-Rule:MF_00641
ECO:0000269 | PubMed:16877713
ECO:0000269 | PubMed:23261599
Mg(2+). Mn(2+) is able to replace Mg(2+).