5NB6
Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
Summary for 5NB6
Entry DOI | 10.2210/pdb5nb6/pdb |
Descriptor | Complement factor D, (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide (3 entities in total) |
Functional Keywords | hydrolase |
Biological source | Homo sapiens (Human) |
Cellular location | Secreted: P00746 |
Total number of polymer chains | 1 |
Total formula weight | 25229.56 |
Authors | Mac Sweeney, A.,Ostermann, N. (deposition date: 2017-03-01, 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 Cited by PubMed: 28621538DOI: 10.1021/acs.jmedchem.7b00425 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.75 Å) |
Structure validation
Download full validation report