6P5V

Structure of DCN1 bound to N-((4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-methylbenzamide

Summary for 6P5V

DescriptorLysozyme,DCN1-like protein 1 fusion, (4S)-2-METHYL-2,4-PENTANEDIOL, N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide, ... (4 entities in total)
Functional Keywordse3 ligase, ligase
Biological sourceEnterobacteria phage T4
More
Total number of polymer chains1
Total molecular weight44912.11
Authors
Guy, R.K.,Kim, H.S.,Hammill, J.T.,Scott, D.C.,Schulman, B.A. (deposition date: 2019-05-31, release date: 2019-09-11, Last modification date: 2019-12-04)
Primary citation
Kim, H.S.,Hammill, J.T.,Scott, D.C.,Chen, Y.,Min, J.,Rector, J.,Singh, B.,Schulman, B.A.,Guy, R.K.
Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation.
J.Med.Chem., 62:8429-8442, 2019
PubMed: 31465221 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00410
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.398 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20530 0.9% 6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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