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TitleCrystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
Journal, issue, pagesJ. Struct. Biol., Vol. 190, Page 328-337, Year 2015
Publish dateJun 17, 2014 (structure data deposition date)
AuthorsChollet, A. / Mourey, L. / Lherbet, C. / Delbot, A. / Julien, S. / Baltas, M. / Bernadou, J. / Pratviel, G. / Maveyraud, L. / Bernardes-Genisson, V.
External linksJ. Struct. Biol. / PubMed:25891098
MethodsX-ray diffraction
Resolution1.4 - 1.95 Å
Structure data

PDB-4trm:
Structure of the apo form of InhA from Mycobacterium tuberculosis
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4trn:
STRUCTURE OF INHA FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED TO NADH
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4tro:
Structure of the enoyl-ACP reductase of Mycobacterium tuberculosis InhA, inhibited with the active metabolite of isoniazid
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-ZID:
ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-NA:
Unknown entry

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / ENOYL REDUCTASE / ENOYL ACP REDUCTASE / isoniazid

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