Brand  (β version)

PDB ID: 3VEH

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Ligands
Code Name Style Show Link
0GA 3-{[(1z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid PoSSuM
SCN Thiocyanate ion PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 3VEH   PDBj   RCSB PDB   PDBe
Header : lyase, isomerase
Title : Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT
Release Data : 2012-06-13
Compound :
mol_id molecule chains synonym
1 Isochorismate synthase/isochorismate-pyruvate lyase mbtI A,B,C,D Mycobactin synthase protein I, Salicylate synthase mbtI
ec: 4.1.3.-, 5.4.4.2
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis  (taxid:1773) Escherichia coli  (taxid:562)
gene: mbtI, trpE2, Rv2386c, MT2454
Authors : Bulloch, E.M., Chi, G., Manos-Turvey, A., Johnston, J.M., Baker, E.N., Payne, R.J., Lott, J.S., TB Structural Genomics Consortium (TBSGC)
Keywords : Structural Genomics, TB Structural Genomics Consortium, TBSGC, salicylate synthase, lyase, isomerase
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis.

Chi, G.,Manos-Turvey, A.,O'Connor, P.D.  et al.
(2012)  Biochemistry  51 : 4868 - 4879

PubMed: 22607697
DOI: 10.1021/bi3002067

Reaction

Chain : A, B, C, D
UniProt : Q7D785 (MBTI_MYCTU)
Reaction: EC: Evidence:
Physiological Direction:
chorismate = isochorismate 5.4.4.2 PubMed:16923875, PubMed:17240979, PubMed:20512795
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isochorismate = pyruvate + salicylate 4.2.99.21 PubMed:16923875, PubMed:17240979, PubMed:20512795
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chorismate = prephenate 5.4.99.5 PubMed:17240979
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