2W0B

CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}PROPYL PYRIDIN-4-YLCARBAMATE

Summary for 2W0B

Related2BZ9 2W0A 1U13 2W09 2CI0 2CIB 1E9X 1X8V 2VKU 1H5Z 1EA1
DescriptorCYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate, ... (4 entities in total)
Functional Keywordssteroid biosynthesis, protein-inhibitor complex, metal-binding, oxidoreductase, lipid synthesis, nadp, iron, heme, cytoplasm, monooxygenase, sterol biosynthesis
Biological sourceMYCOBACTERIUM TUBERCULOSIS
Total number of polymer chains1
Total molecular weight52443.18
Authors
Podust, L.M. (deposition date: 2008-08-12, release date: 2009-01-20, Last modification date: 2019-10-09)
Primary citation
Chen, C.K.,Doyle, P.S.,Yermalitskaya, L.V.,Mackey, Z.B.,Ang, K.K.,McKerrow, J.H.,Podust, L.M.
Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.
Plos Negl Trop Dis, 3:e372-e372, 2009
PubMed: 19190730 (PDB entries with the same primary citation)
DOI: 10.1371/journal.pntd.0000372
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.56 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2016 0.2% 2.5% 4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
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PDB entries from 2020-07-29