4QXM
Crystal structure of the InhA:GSK_SB713 complex
Summary for 4QXM
Entry DOI | 10.2210/pdb4qxm/pdb |
Related | 3oew |
Descriptor | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, ... (4 entities in total) |
Functional Keywords | rossman fold, enoyl-acp reductase, nadh binding, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Mycobacterium tuberculosis H37Rv |
Total number of polymer chains | 4 |
Total formula weight | 117616.50 |
Authors | Gulten, G.,Sacchettini, J.C. (deposition date: 2014-07-21, release date: 2015-07-22, Last modification date: 2023-09-20) |
Primary citation | Guardia, A.,Gulten, G.,Fernandez, R.,Gomez, J.,Wang, F.,Convery, M.,Blanco, D.,Martinez, M.,Perez-Herran, E.,Alonso, M.,Ortega, F.,Rullas, J.,Calvo, D.,Mata, L.,Young, R.,Sacchettini, J.C.,Mendoza-Losana, A.,Remuinan, M.,Ballell Pages, L.,Castro-Pichel, J. N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity. Chemmedchem, 11:687-701, 2016 Cited by PubMed: 26934341DOI: 10.1002/cmdc.201600020 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.196 Å) |
Structure validation
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