5IBI
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
Summary for 5IBI
| Entry DOI | 10.2210/pdb5ibi/pdb |
| Descriptor | Cytochrome P450 121 CYP121, SULFATE ION, 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, ... (5 entities in total) |
| Functional Keywords | mycobacterium tuberculosis cyp121 fragment based inhibitor screening, oxidoreductase |
| Biological source | Mycobacterium tuberculosis |
| Total number of polymer chains | 1 |
| Total formula weight | 44583.94 |
| Authors | Levy, C. (deposition date: 2016-02-22, release date: 2016-04-06, Last modification date: 2016-04-27) |
| Primary citation | Kavanagh, M.E.,Coyne, A.G.,McLean, K.J.,James, G.G.,Levy, C.W.,Marino, L.B.,de Carvalho, L.P.,Chan, D.S.,Hudson, S.A.,Surade, S.,Leys, D.,Munro, A.W.,Abell, C. Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59:3272-3302, 2016 Cited by PubMed: 27002486DOI: 10.1021/acs.jmedchem.6b00007 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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