3M35

Trypsin in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423)

Summary for 3M35

• Entry DOI: 10.2210/pdb3m35/pdb
• Related: 3M36 3M37
• Descriptor: Cationic trypsin, 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: hydrolase, serine protease, digestion, pancreas, zymogen, disulfide bond, metal-binding, protease, secreted
• Biological source: Bos taurus (bovine,cow,domestic cattle,domestic cow)
• Cellular location: Secreted, extracellular space: P00760
• Total number of polymer chains: 1
• Total formula weight: 23896.88

Authors

Alexander, R.S. (deposition date: 2010-03-08, release date: 2010-04-21, Last modification date: 2011-07-13)

• Primary citation: Pruitt, J.R.,Pinto, D.J.P.,Galemmo, R.A.Jr.,Alexander, R.S.,Rossi, K.A.,Wells, B.L.,Drummond, S.,Bostrom, L.L.,Burdick, D.,Bruckner, R.,Chen, H.,Smallwood, A.,Wong, P.C.,Wright, M.R.,Bai, S.,Luettgen, J.M.,Knabb, R.M.,Lam, P.Y.S.,Wexler, R.R.; Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor; J.Med.Chem., 46:5298-, 2003; PubMed: 14640539

Experimental method

X-RAY DIFFRACTION (2.2 Å)