Crystal structure of human Pirin in complex with compound 7 (PLX4720)

Summary for 6H1H

DescriptorPirin, FE (III) ION, [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone, ... (6 entities in total)
Functional Keywordstranscriptional coregulator, quercetin 2, 3-dioxygenase, inhibitor, transcription
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight33205.61
Ali, S.,Le Bihan, Y.V.,van Montfort, R.L.M. (deposition date: 2018-07-11, release date: 2018-11-28, Last modification date: 2019-01-16)
Primary citation
Meyers, J.,Chessum, N.E.A.,Ali, S.,Mok, N.Y.,Wilding, B.,Pasqua, A.E.,Rowlands, M.,Tucker, M.J.,Evans, L.E.,Rye, C.S.,O'Fee, L.,Le Bihan, Y.V.,Burke, R.,Carter, M.,Workman, P.,Blagg, J.,Brown, N.,van Montfort, R.L.M.,Jones, K.,Cheeseman, M.D.
Privileged Structures and Polypharmacology within and between Protein Families.
ACS Med Chem Lett, 9:1199-1204, 2018
PubMed: 30613326 (PDB entries with the same primary citation)
DOI: 10.1021/acsmedchemlett.8b00364
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.18920 1.3% 3.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload