Brand  (β version)

PDB ID: 5VRL

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Ligands
Code Name Style Show Link
9JA (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$L^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine PoSSuM
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Structure summary

Code : 5VRL   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
Release Data : 2018-05-16
Compound :
mol_id molecule chains synonym
1 Enoyl-[acyl-carrier-protein] reductase [NADH] A Enoyl-ACP reductase,FAS-II enoyl-ACP reductase,NADH-dependent 2-trans-enoyl-ACP reductase
ec: 1.3.1.9
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)  (taxid:83331) Escherichia coli  (taxid:469008)
strain: CDC 1551 / Oshkosh
gene: inhA, MT1531
expression_system_strain: BL21(DE3)
expression_system_vector_type: PLASMID
expression_system_plasmid: PET15B
Authors : Abendroth, J., Edwards, T.E., Lorimer, D.
Keywords : INHA, ENOYL-ACYL REDUCTASE, TUBERCULOSIS, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.65 Å )
Citation :

Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.

Xia, Y.,Zhou, Y.,Carter, D.S.  et al.
(2018)  Life Sci Alliance  1 : e201800025 - e201800025

PubMed: 30456352
DOI: 10.26508/lsa.201800025

Reaction

Chain : A
UniProt : P9WGR0 (INHA_MYCTO)
Reaction: EC: Evidence:
Physiological Direction:
a 2,3-saturated acyl-[ACP] + NAD(+) = a (2E)-enoyl-[ACP] + H(+) + NADH 1.3.1.9 UniProtKB:P9WGR1
right-to-left
a 2,3-saturated acyl-CoA + NAD(+) = a (2E)-enoyl-CoA + H(+) + NADH - UniProtKB:P9WGR1
right-to-left