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4otk

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A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form

Structural highlights

4otk is a 1 chain structure with sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.6Å
Ligands:	,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Y2971_MYCTU

Publication Abstract from PubMed

Aldo-keto reductases (AKR) are a large superfamily of NADPH-dependent oxidoreductases and play a role in detoxification of toxic metabolites. Rv2971, an AKR in Mycobacterium tuberculosis, has recently been identified as a target of isoniazid, a key first-line drug against tuberculosis. Here, the cloning, expression, purification, crystallization and structural characterization of Rv2971 are described. To gain insight into its function, the crystal structure of Rv2971 was successfully determined to 1.60 A resolution in its unliganded form. The structure exhibits a TIM-barrel fold typical of AKRs, revealing structural characteristics essential for function and substrate specificities, allowing a structural comparison between Rv2971 and other mycobacterial AKRs.

A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form.,Shahine A, Prasetyoputri A, Rossjohn J, Beddoe T Acta Crystallogr F Struct Biol Commun. 2014 May;70(Pt 5):572-7. doi:, 10.1107/S2053230X14007158. Epub 2014 Apr 17. PMID:24817712^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Shahine A, Prasetyoputri A, Rossjohn J, Beddoe T. A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form. Acta Crystallogr F Struct Biol Commun. 2014 May;70(Pt 5):572-7. doi:, 10.1107/S2053230X14007158. Epub 2014 Apr 17. PMID:24817712 doi:http://dx.doi.org/10.1107/S2053230X14007158