5VRL
CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
Summary for 5VRL
Entry DOI | 10.2210/pdb5vrl/pdb |
Related | 5VRM 5VRN |
Descriptor | Enoyl-[acyl-carrier-protein] reductase [NADH], (~{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 (3 entities in total) |
Functional Keywords | inha, enoyl-acyl reductase, tuberculosis, oxidoreductase |
Biological source | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) |
Total number of polymer chains | 1 |
Total formula weight | 29297.27 |
Authors | Abendroth, J.,Edwards, T.E.,Lorimer, D. (deposition date: 2017-05-11, release date: 2018-05-16, Last modification date: 2024-03-13) |
Primary citation | Xia, Y.,Zhou, Y.,Carter, D.S.,McNeil, M.B.,Choi, W.,Halladay, J.,Berry, P.W.,Mao, W.,Hernandez, V.,O'Malley, T.,Korkegian, A.,Sunde, B.,Flint, L.,Woolhiser, L.K.,Scherman, M.S.,Gruppo, V.,Hastings, C.,Robertson, G.T.,Ioerger, T.R.,Sacchettini, J.,Tonge, P.J.,Lenaerts, A.J.,Parish, T.,Alley, M. Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1:e201800025-e201800025, 2018 Cited by PubMed: 30456352DOI: 10.26508/lsa.201800025 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.65 Å) |
Structure validation
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