5QCK
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
Summary for 5QCK
Entry DOI | 10.2210/pdb5qck/pdb |
Group deposition | FXIa (G_1002041) |
Related | 5QCL 5QCM 5QCN |
Descriptor | Coagulation factor XI, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, SULFATE ION, ... (5 entities in total) |
Functional Keywords | hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Secreted: P03951 |
Total number of polymer chains | 1 |
Total formula weight | 28425.58 |
Authors | Sheriff, S. (deposition date: 2017-08-10, release date: 2017-11-08, Last modification date: 2018-02-21) |
Primary citation | Pinto, D.J.P.,Orwat, M.J.,Smith, L.M.,Quan, M.L.,Lam, P.Y.S.,Rossi, K.A.,Apedo, A.,Bozarth, J.M.,Wu, Y.,Zheng, J.J.,Xin, B.,Toussaint, N.,Stetsko, P.,Gudmundsson, O.,Maxwell, B.,Crain, E.J.,Wong, P.C.,Lou, Z.,Harper, T.W.,Chacko, S.A.,Myers, J.E.,Sheriff, S.,Zhang, H.,Hou, X.,Mathur, A.,Seiffert, D.A.,Wexler, R.R.,Luettgen, J.M.,Ewing, W.R. Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60:9703-9723, 2017 Cited by PubMed: 29077405DOI: 10.1021/acs.jmedchem.7b01171 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.64 Å) |
Structure validation
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