5DUC

Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A

Summary for 5DUC

• Entry DOI: 10.2210/pdb5duc/pdb
• Descriptor: Probable enoyl-CoA hydratase echA6, (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (3 entities in total)
• Functional Keywords: enoyl-coa hydratase-like, lyase, lipid binding protein
• Biological source: Mycobacterium tuberculosis
• Total number of polymer chains: 3
• Total formula weight: 86107.94

Authors

Cox, J.A.G.,Besra, G.S.,Futterer, K. (deposition date: 2015-09-18, release date: 2016-01-20, Last modification date: 2024-01-10)

• Primary citation: Cox, J.A.,Abrahams, K.A.,Alemparte, C.,Ghidelli-Disse, S.,Rullas, J.,Angulo-Barturen, I.,Singh, A.,Gurcha, S.S.,Nataraj, V.,Bethell, S.,Remuinan, M.J.,Encinas, L.,Jervis, P.J.,Cammack, N.C.,Bhatt, A.,Kruse, U.,Bantscheff, M.,Futterer, K.,Barros, D.,Ballell, L.,Drewes, G.,Besra, G.S.; THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.; Nat Microbiol, 1:15006-15006, 2016; PubMed: 27571973; DOI: 10.1038/nmicrobiol.2015.6

Experimental method

X-RAY DIFFRACTION (2.704 Å)