6BG5

Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1

Summary for 6BG5

DescriptorEndolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea (3 entities in total)
Functional Keywordse3 ligase, hydrolase, ligase-inhibitor complex, ligase/inhibitor
Biological sourceEnterobacteria phage T4
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Total number of polymer chains1
Total molecular weight44770.85
Authors
Guy, R.K.,Schulman, B.A.,Scott, D.C.,Hammill, J.T. (deposition date: 2017-10-27, release date: 2018-09-26)
Primary citation
Hammill, J.T.,Scott, D.C.,Min, J.,Connelly, M.C.,Holbrook, G.,Zhu, F.,Matheny, A.,Yang, L.,Singh, B.,Schulman, B.A.,Guy, R.K.
Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61:2680-2693, 2018
PubMed: 29547696 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.7b01277
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.1 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.173400.6%2.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution