3Q00
Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor
Summary for 3Q00
| Entry DOI | 10.2210/pdb3q00/pdb |
| Related | 1V2K 3PLK 3PLP 3PM3 3PWB 3PWC 3PYH |
| Related PRD ID | PRD_001008 |
| Descriptor | Cationic trypsin, CALCIUM ION, N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide, ... (6 entities in total) |
| Functional Keywords | trypsin-like serine protease, hydrolase, protein binding, duodenum, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Bos taurus (bovine) |
| Cellular location | Secreted, extracellular space: P00760 |
| Total number of polymer chains | 1 |
| Total formula weight | 25388.68 |
| Authors | Tziridis, A.,Neumann, P.,Kolenko, P.,Stubbs, M.T. (deposition date: 2010-12-15, release date: 2011-12-21, Last modification date: 2023-09-13) |
| Primary citation | Tziridis, A.,Rauh, D.,Neumann, P.,Kolenko, P.,Menzel, A.,Brauer, U.,Ursel, C.,Steinmetzer, P.,Sturzebecher, J.,Schweinitz, A.,Steinmetzer, T.,Stubbs, M.T. Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395:891-903, 2014 Cited by PubMed: 25003390DOI: 10.1515/hsz-2014-0158 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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