1BVR	Oxidoreductase	date	Sep 17, 1998
title	M.Tb. Enoyl-Acp Reductase (Inha) In Complex With Nad+ And C16-Fatty-Acyl-Substrate
authors	D.A.Rozwarski, C.Vilcheze, M.Sugantino, R.Bittman, W.Jacobs, Tb Structural Genomics Consortium (Tbsgc)
compound		source
Molecule: Enoyl-Acyl Carrier Protein (Acp) Reductase Chain: A, B, C, D, E, F Synonym: Inha Ec: 1.3.1.9 Engineered: Yes		Organism_scientific: Mycobacterium Tuberculosis Expression_system: Escherichia Coli Expression_system_common: Bacteria
symmetry	Space Group: C 1 2 1	R_factor	0.217
crystal cell	length a length b length c angle alpha angle beta angle gamma 101.080 83.450 192.810 90.00 95.24 90.00
method	X-Ray Diffraction	resolution	2.80 Å
ligand	NAD, THT	enzyme	Enoyl-[acyl-carrier-protein] reductase (NADH);. Enoyl-[acyl carrier protein] reductase;. Enoyl-ACP reductase;. NADH-enoyl acyl carrier protein reductase;. NADH-specific enoyl-ACP reductase;. Enoyl-[acyl-carrier-protein] reductase (NADH2). Oxidoreductase E.C.1.3.1.9 BRENDA
similarity	Fabisubfamily. Belongs to the short-chain dehydrogenases/reductases (sdr) family.
subunit	Homotetramer.
catalytic activ.	Acyl-[acyl-carrier protein] + nad(+) = trans- 2,3-dehydroacyl-[acyl-carrier protein] + nadh.
pathway	Second reductive step in fatty acid biosynthesis. This isozyme is involved in mycolic acid biosynthesis.
genes	fabI (E. coli); fabI (H. pylori); MT1531, inhA (M. tuberculosis)
function	Involved in the resistance against the antituberculosis drugs isoniazid and ethionamide.
Gene Ontology	Chain Function Process Component F, A, D, C, E, B enoyl-[acyl-carrier-protein]... oxidoreductase activity fatty acid biosynthetic proc... metabolic process lipid biosynthetic process response to antibiotic
Primary reference	Crystal structure of the Mycobacterium tuberculosis enoyl-ACP reductase, InhA, in complex with NAD+ and a C16 fatty acyl substrate., Rozwarski DA, Vilcheze C, Sugantino M, Bittman R, Sacchettini JC, J Biol Chem 1999 May 28;274(22):15582-9. PMID:10336454

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (296 Kb) [Save to disk] Biological Unit Coordinates (1bvr.pdb1.gz) 86 Kb Biological Unit Coordinates (1bvr.pdb2.gz) 182 Kb CSU: Contacts of Structural Units for 1BVR Likely Quarternary Molecular Structure file(s) for 1BVR Retrieve 1BVR in mmCIF format [Save to disk]

View 1BVR in 3D

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Visual 3D analysis of 1BVR

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Structure-derived information

Dipole moment, from Dipole Server at Weizmann Institute Crystal Contacts, from CryCo at Weizmann Institute 3D motif for 1BVR, from MSDmotif at EBI Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1bvra_, region A [Jmol] [rasmolscript] [script source]     - Domain d1bvrb_, region B [Jmol] [rasmolscript] [script source]     - Domain d1bvrc_, region C [Jmol] [rasmolscript] [script source]     - Domain d1bvrd_, region D [Jmol] [rasmolscript] [script source]     - Domain d1bvre_, region E [Jmol] [rasmolscript] [script source]     - Domain d1bvrf_, region F [Jmol] [rasmolscript] [script source] Fold representative 1bvr from FSSP and Dali (Families of Structurally Similar Proteins) Class (fold), Architecture (subfold), Topology, Homologous superfamily from CATH Summaries and structural analyses of PDB data files from PDBSum Identification of Protein Pockets & Cavities at CASTp

Sequence-derived information

View one-letter amino acid or nucleotide sequence for each chain: [1bvr_A] [1bvr_E] [1bvr_C] [1bvr_F] [1bvr_D] [1bvr_B]

Other resources with information on 1BVR

InterPro: IPR002347 PDBREPORT (protein verification by WHAT_CHECK procedures) MMDB (Entrez's Structure Database)

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