6VLU
Factor XIa in complex with compound 7
Summary for 6VLU
| Entry DOI | 10.2210/pdb6vlu/pdb |
| Descriptor | Coagulation factor XIa light chain, CITRIC ACID, N-cyclohexyl-D-leucyl-N-[(1-aminoisoquinolin-6-yl)methyl]-4,4-difluoro-L-prolinamide, ... (4 entities in total) |
| Functional Keywords | hydrolase, serine protease, coagulation factor, hydrolase-hydrolase inhibitor complex, blood clotting |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 27550.23 |
| Authors | Lesburg, C.A.,Fradera, X. (deposition date: 2020-01-27, release date: 2020-05-06, Last modification date: 2020-10-07) |
| Primary citation | Yan, X.C.,Sanders, J.M.,Gao, Y.D.,Tudor, M.,Haidle, A.M.,Klein, D.J.,Converso, A.,Lesburg, C.A.,Zang, Y.,Wood, H.B. Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. J.Chem.Inf.Model., 60:4144-4152, 2020 Cited by PubMed: 32309939DOI: 10.1021/acs.jcim.0c00113 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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