1GJ5

SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN

Summary for 1GJ5

• Entry DOI: 10.2210/pdb1gj5/pdb
• Related: 1C5N
• Descriptor: THROMBIN, ACETYL HIRUDIN, SODIUM ION, ... (6 entities in total)
• Functional Keywords: three-centered, very short hydrogen bond, oxyanion hole water, shift of pka of his57, structure-based drug design, specificity, urokinase, trypsin, thrombin, zn+2-mediated inhibition, blood clotting, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Secreted, extracellular space: P00734 P00734; Secreted: P28504
• Total number of polymer chains: 3
• Total formula weight: 35590.52

Authors

Katz, B.A.,Sprengeler, P.A.,Luong, C.,Verner, E.,Spencer, J.R.,Breitenbucher, J.G.,Hui, H.,McGee, D.,Allen, D.,Martelli, A.,Mackman, R.L. (deposition date: 2001-04-27, release date: 2002-04-27, Last modification date: 2023-11-15)

• Primary citation: Katz, B.A.,Sprengeler, P.A.,Luong, C.,Verner, E.,Elrod, K.,Kirtley, M.,Janc, J.,Spencer, J.R.,Breitenbucher, J.G.,Hui, H.,McGee, D.,Allen, D.,Martelli, A.,Mackman, R.L.; Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.; Chem.Biol., 8:1107-1121, 2001; PubMed: 11731301; DOI: 10.1016/S1074-5521(01)00084-9

Experimental method

X-RAY DIFFRACTION (1.73 Å)