5OIO

InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine

Summary for 5OIO

Entry DOI	10.2210/pdb5oio/pdb
Descriptor	Enoyl-[acyl-carrier-protein] reductase [NADH], 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (4 entities in total)
Functional Keywords	inhibitor, complex, fragment based drug discovery, tuberculosis, oxidoreductase
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	2
Total formula weight	58851.01
Authors	Convery, M.A. (deposition date: 2017-07-19, release date: 2018-02-14, Last modification date: 2018-04-18)
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: 29399991 DOI: 10.1002/cmdc.201700774 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.74 Å)

Structure validation