5TKT

FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE

Summary for 5TKT

Entry DOI	10.2210/pdb5tkt/pdb
Related	5TKS 5TKU
Descriptor	Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, 7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE, 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	29063.23
Authors	Sheriff, S. (deposition date: 2016-10-07, release date: 2017-03-01, Last modification date: 2023-10-04)
Primary citation	Corte, J.R.,Fang, T.,Osuna, H.,Pinto, D.J.,Rossi, K.A.,Myers, J.E.,Sheriff, S.,Lou, Z.,Zheng, J.J.,Harper, T.W.,Bozarth, J.M.,Wu, Y.,Luettgen, J.M.,Seiffert, D.A.,Decicco, C.P.,Wexler, R.R.,Quan, M.L. Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem., 60:1060-1075, 2017 Cited by PubMed: 28085275 DOI: 10.1021/acs.jmedchem.6b01460 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.12 Å)

Structure validation