5OIN
InhA (T2A mutant) complexed with N-(1-(pyrimidin-2-yl)piperidin-4-yl)acetamide
Summary for 5OIN
Entry DOI | 10.2210/pdb5oin/pdb |
Descriptor | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide, ... (4 entities in total) |
Functional Keywords | inhibitor, complex, fragment based drug discovery, tuberculosis, oxidoreductase |
Biological source | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
Total number of polymer chains | 4 |
Total formula weight | 117413.53 |
Authors | Convery, M.A. (deposition date: 2017-07-19, release date: 2018-02-14, Last modification date: 2024-05-08) |
Primary citation | Prati, F.,Zuccotto, F.,Fletcher, D.,Convery, M.A.,Fernandez-Menendez, R.,Bates, R.,Encinas, L.,Zeng, J.,Chung, C.W.,De Dios Anton, P.,Mendoza-Losana, A.,Mackenzie, C.,Green, S.R.,Huggett, M.,Barros, D.,Wyatt, P.G.,Ray, P.C. Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA. ChemMedChem, 13:672-677, 2018 Cited by PubMed: 29399991DOI: 10.1002/cmdc.201700774 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.82 Å) |
Structure validation
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