X-RAY crystal structure of the complex between the grb2-sh2 domain and a flexible ligand, FPTVN.

Replaces:  2HUY

Summary for 3C7I

DescriptorGrowth factor receptor-bound protein 2, N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide, FORMIC ACID, ... (4 entities in total)
Functional Keywordsflexible, constrained, entropy, grb2-sh2, ligand preorganization, alternative splicing, host-virus interaction, phosphoprotein, sh2 domain, sh3 domain, splicing
Biological sourceHomo sapiens (Human)
Cellular locationGolgi apparatus (By similarity) P62993
Total number of polymer chains1
Total molecular weight14262.97
Benfield, A.P.,Martin, S.F. (deposition date: 2008-02-07, release date: 2008-08-12, Last modification date: 2011-07-13)
Primary citation
Benfield, A.P.,Teresk, M.G.,Plake, H.R.,Delorbe, J.E.,Millspaugh, L.E.,Martin, S.F.
Ligand Preorganization May be Accompanied by Entropic Penalties in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 118:6984-6989, 2006
PubMed: 17001728 (PDB entries with the same primary citation)
DOI: 10.1002/ange.200600844
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.195100 4.4% 11.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21