2W09

CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE

Summary for 2W09

Related2BZ9 2W0A 1U13 2CI0 2CIB 1E9X 1X8V 2VKU 1H5Z 2W0B 1EA1
DescriptorCYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE, ... (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 weight52443.26
Authors
Podust, L.M. (deposition date: 2008-08-12, release date: 2009-01-20, Last modification date: 2019-05-08)
Primary citation
Chen, C.-K.,Doyle, P.S.,Yermalitskaya, L.V.,Mackey, Z.B.,Ang, K.K.H.,Mckerrow, J.H.,Podust, L.M.
Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
Plos Negl Trop Dis, 3: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 (1.57 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22080 2.6% 4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
168889
PDB entries from 2020-09-16