4G47

Structure of cytochrome P450 CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)phenol

Summary for 4G47

Related4G44 4G45 4G46 4G48
DescriptorCytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... (5 entities in total)
Functional Keywordsp450, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceMycobacterium tuberculosis
Cellular locationCytoplasm (By similarity) P0A514
Total number of polymer chains1
Total molecular weight44467.76
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: 2012-09-19)
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
PubMed: 22890978 (PDB entries with the same primary citation)
DOI: 10.1002/anie.201202544
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.34 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1761102.3%1.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution