6FUI

Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol

Summary for 6FUI

DescriptorComplement factor D, (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid (3 entities in total)
Functional Keywordsserine protease, inhibitor, complex, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight25130.59
Authors
Primary citation
Vulpetti, A.,Ostermann, N.,Randl, S.,Yoon, T.,Mac Sweeney, A.,Cumin, F.,Lorthiois, E.,Rudisser, S.,Erbel, P.,Maibaum, J.
Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9:490-495, 2018
PubMed: 29795765 (PDB entries with the same primary citation)
DOI: 10.1021/acsmedchemlett.8b00104
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.38 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.199603.3%0.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution