Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide]

Summary for 5NAW

DescriptorComplement factor D, (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide (3 entities in total)
Functional Keywordshydrolase
Biological sourceHomo sapiens (Human)
Cellular locationSecreted P00746
Total number of polymer chains1
Total molecular weight25226.55
Mac Sweeney, A.,Ostermann, N. (deposition date: 2017-02-28, release date: 2017-06-28, Last modification date: 2017-07-26)
Primary citation
Lorthiois, E.,Anderson, K.,Vulpetti, A.,Rogel, O.,Cumin, F.,Ostermann, N.,Steinbacher, S.,Mac Sweeney, A.,Delgado, O.,Liao, S.M.,Randl, S.,Rudisser, S.,Dussauge, S.,Fettis, K.,Kieffer, L.,de Erkenez, A.,Yang, L.,Hartwieg, C.,Argikar, U.A.,La Bonte, L.R.,Newton, R.,Kansara, V.,Flohr, S.,Hommel, U.,Jaffee, B.,Maibaum, J.
Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60:5717-5735, 2017
PubMed: 28621538 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.7b00425
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.178503.3%4.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution