5WJ6

Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)

Summary for 5WJ6

Related5FI6
DescriptorGlutaminase kidney isoform, mitochondrial, 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, ... (4 entities in total)
Functional Keywordsglutaminase c, inhibitor, complex, glutamine, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationIsoform 1: Cytoplasm, cytosol. Isoform 3: Mitochondrion O94925 O94925
Total number of polymer chains4
Total molecular weight238773.42
Authors
Huang, Q.,Cerione, R.A. (deposition date: 2017-07-21, release date: 2018-01-10, Last modification date: 2018-03-21)
Primary citation
Huang, Q.,Stalnecker, C.,Zhang, C.,McDermott, L.A.,Iyer, P.,O'Neill, J.,Reimer, S.,Cerione, R.A.,Katt, W.P.
Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism.
J. Biol. Chem., 293:3535-3545, 2018
PubMed: 29317493 (PDB entries with the same primary citation)
DOI: 10.1074/jbc.M117.810101
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.445 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22480.6%1.8%7.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (5wj6.pdb1.gz [273.84 KB])
Coordinate files for Biological unit (5wj6.pdb2.gz [272.2 KB])