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: 22890978 DOI: 10.1002/anie.201202544 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.24 Å)

Structure validation