4G44
Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline
Summary for 4G44
Entry DOI | 10.2210/pdb4g44/pdb |
Related | 1N40 3G5H 4G1X 4G2G 4G45 4G46 4G47 4G48 |
Descriptor | Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... (5 entities in total) |
Functional Keywords | p450, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Mycobacterium tuberculosis |
Cellular location | Cytoplasm (By similarity): P0A514 |
Total number of polymer chains | 1 |
Total formula weight | 44558.94 |
Authors | Hudson, S.A.,McLean, K.J.,Surade, S.,Yang, Y.-Q.,Leys, D.,Ciulli, A.,Munro, A.W.,Abell, C. (deposition date: 2012-07-16, release date: 2012-09-05, Last modification date: 2023-11-08) |
Primary citation | Hudson, S.A.,McLean, K.J.,Surade, S.,Yang, Y.-Q.,Leys, D.,Ciulli, A.,Munro, A.W.,Abell, C. Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51:9311-9316, 2012 Cited by PubMed: 22890978DOI: 10.1002/anie.201202544 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.24 Å) |
Structure validation
Download full validation report