pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetylcyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 16)

Summary for 5NVZ

DescriptorElongin-B, Elongin-C, Von Hippel-Lindau disease tumor suppressor, ... (5 entities in total)
Functional Keywordsprotein complex, ubiquitin ligase, hypoxia inducible factor, ligase
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  Q15370 Q15369
Isoform 1: Cytoplasm. Isoform 3: Cytoplasm P40337
Total number of polymer chains12
Total molecular weight169111.74
Gadd, M.S.,Soares, P.,Ciulli, A. (deposition date: 2017-05-04, release date: 2017-09-20, Last modification date: 2018-02-07)
Primary citation
Soares, P.,Gadd, M.S.,Frost, J.,Galdeano, C.,Ellis, L.,Epemolu, O.,Rocha, S.,Read, K.D.,Ciulli, A.
Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61:599-618, 2018
PubMed: 28853884 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.7b00675
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.268101.9%0.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-08-12