Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening)

Summary for 5ENE

DescriptorPH-interacting protein, 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile (3 entities in total)
Functional Keywordsbromodomain, phip, crystallographic fragment screen, transcription, structural genomics, structural genomics consortium, sgc, signaling protein
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight15793.87
Primary citation
Cox, O.B.,Krojer, T.,Collins, P.,Monteiro, O.,Talon, R.,Bradley, A.,Fedorov, O.,Amin, J.,Marsden, B.D.,Spencer, J.,von Delft, F.,Brennan, P.E.
A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7:2322-2330, 2016
PubMed: 29910922 (PDB entries with the same primary citation)
DOI: 10.1039/c5sc03115j
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.248001.8%4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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