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PDBsum entry 3rv6
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Isomerase/isomerase inhibitor
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PDB id
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3rv6
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PDB id:
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| Name: |
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Isomerase/isomerase inhibitor
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Title:
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Structure of a m. Tuberculosis salicylate synthase, mbti, in complex with an inhibitor with phenyl r-group
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Structure:
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Isochorismate synthase/isochorismate-pyruvate lyase mbti. Chain: a, b. Synonym: mycobactin synthase protein i, salicylate synthase mbti. Engineered: yes
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Source:
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Mycobacterium tuberculosis. Organism_taxid: 1773. Strain: h37rv. Gene: rv2386c. Expressed in: escherichia coli. Expression_system_taxid: 562.
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Resolution:
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2.04Å
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R-factor:
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0.172
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R-free:
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0.205
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Authors:
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G.Chi,E.M.M.Bulloch,A.Manos-Turvey,R.J.Payne,J.S.Lott,Tb Structural Genomics Consortium (Tbsgc)
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Key ref:
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G.Chi
et al.
(2012).
Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis.
Biochemistry,
51,
4868-4879.
PubMed id:
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Date:
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06-May-11
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Release date:
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09-May-12
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PROCHECK
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Headers
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References
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P9WFX1
(MBTI_MYCTU) -
Salicylate synthase from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
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Seq:
Struc:
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450 a.a.
417 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class 1:
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E.C.4.2.99.21
- isochorismate lyase.
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Reaction:
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isochorismate = salicylate + pyruvate
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isochorismate
Bound ligand (Het Group name = )
matches with 72.73% similarity
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=
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salicylate
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+
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pyruvate
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Enzyme class 2:
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E.C.5.4.4.2
- isochorismate synthase.
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Pathway:
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Reaction:
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chorismate = isochorismate
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chorismate
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=
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isochorismate
Bound ligand (Het Group name = )
matches with 72.73% similarity
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Cofactor:
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Mg(2+)
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Enzyme class 3:
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E.C.5.4.99.5
- chorismate mutase.
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Pathway:
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Reaction:
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chorismate = prephenate
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chorismate
Bound ligand (Het Group name = )
matches with 65.22% similarity
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=
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prephenate
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Note, where more than one E.C. class is given (as above), each may
correspond to a different protein domain or, in the case of polyprotein
precursors, to a different mature protein.
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Biochemistry
51:4868-4879
(2012)
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PubMed id:
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Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis.
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G.Chi,
A.Manos-Turvey,
P.D.O'Connor,
J.M.Johnston,
G.L.Evans,
E.N.Baker,
R.J.Payne,
J.S.Lott,
E.M.Bulloch.
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ABSTRACT
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Links
