6RAV

Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid

This is a large structure.
Replaces:  6QSV

Summary for 6RAV

Related6QSX 6QSW
DescriptorComplement factor B, SULFATE ION, 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, ... (5 entities in total)
Functional Keywordscomplement, immune, inhibitor, c3 convertase, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight67367.93
Authors
Primary citation
Schubart, A.,Anderson, K.,Mainolfi, N.,Sellner, H.,Ehara, T.,Adams, C.M.,Mac Sweeney, A.,Liao, S.M.,Crowley, M.,Littlewood-Evans, A.,Sarret, S.,Wieczorek, G.,Perrot, L.,Dubost, V.,Flandre, T.,Zhang, Y.,Smith, R.J.H.,Risitano, A.M.,Karki, R.G.,Zhang, C.,Valeur, E.,Sirockin, F.,Gerhartz, B.,Erbel, P.,Hughes, N.,Smith, T.M.,Cumin, F.,Argikar, U.A.,Haraldsson, B.,Mogi, M.,Sedrani, R.,Wiesmann, C.,Jaffee, B.,Maibaum, J.,Flohr, S.,Harrison, R.,Eder, J.
Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116:7926-7931, 2019
PubMed: 30926668 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.1820892116
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.7 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24230 2.3% 2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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