5CW8

Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA

Summary for 5CW8

DescriptorHTH-type transcriptional repressor KstR, S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12-dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name), TRIETHYLENE GLYCOL, ... (4 entities in total)
Functional Keywordstranscriptional repressor, tetr family transcriptional repressor, cholesterol catabolism, coa thioester ligand, structural genomics, tb structural genomics consortium, tbsgc, transcription regulator
Biological sourceMycobacterium tuberculosis
Total number of polymer chains2
Total molecular weight47023.51
Authors
Ho, N.A.T.,Dawes, S.,Kendall, S.,Casabon, I.,Crowe, A.M.,Baker, E.N.,Eltis, L.D.,Lott, J.S.,TB Structural Genomics Consortium (TBSGC) (deposition date: 2015-07-27, release date: 2016-02-17, Last modification date: 2020-01-01)
Primary citation
Ho, N.A.,Dawes, S.S.,Crowe, A.M.,Casabon, I.,Gao, C.,Kendall, S.L.,Baker, E.N.,Eltis, L.D.,Lott, J.S.
The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291:7256-7266, 2016
PubMed: 26858250 (PDB entries with the same primary citation)
DOI: 10.1074/jbc.M115.707760
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.6 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2355 0.3% 4.5% 1.7%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 2020-10-28