4X6O

FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate

Summary for 4X6O

• Entry DOI: 10.2210/pdb4x6o/pdb
• Related: 4X6M 4X6N 4X6P
• Descriptor: Coagulation factor XI, light chain, methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate, SULFATE ION, ... (5 entities in total)
• Functional Keywords: 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: 28956.56

Authors

Wei, A. (deposition date: 2014-12-08, release date: 2015-02-18, Last modification date: 2015-04-01)

• Primary citation: Pinto, D.J.,Smallheer, J.M.,Corte, J.R.,Austin, E.J.,Wang, C.,Fang, T.,Smith, L.M.,Rossi, K.A.,Rendina, A.R.,Bozarth, J.M.,Zhang, G.,Wei, A.,Ramamurthy, V.,Sheriff, S.,Myers, J.E.,Morin, P.E.,Luettgen, J.M.,Seiffert, D.A.,Quan, M.L.,Wexler, R.R.; Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.; Bioorg.Med.Chem.Lett., 25:1635-1642, 2015; PubMed: 25728130; DOI: 10.1016/j.bmcl.2015.01.028

Experimental method

X-RAY DIFFRACTION (2.1 Å)