PDB ID: 3UPE
Hetero Atom Contents
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Code | Name | Style | Show | Link | |
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0CA | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1h-indole-4-carboxylic acid | PoSSuM | |||
CA | Calcium ion | PoSSuM | |||
GOL | Glycerol | PoSSuM | |||
SO4 | Sulfate ion | PoSSuM |
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Download interaction data: 3UPE
Structure summary
Code : | 3UPE PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE/HYDROLASE inhibitor | ||||||||||||
Title : | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | ||||||||||||
Release Data : | 2012-11-21 | ||||||||||||
Compound : |
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Source : |
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Authors : | Tziridis, A., Neumann, P., Kolenko, P., Stubbs, M.T. | ||||||||||||
Keywords : | Trypsin-like serine protease, HYDROLASE, PROTEIN BINDING, DUODENUM, HYDROLASE-HYDROLASE inhibitor complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 1.54 Å ) | ||||||||||||
Citation : |
Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Tziridis, A.,Rauh, D.,Neumann, P.
et al.
PubMed: 25003390 |
Reaction
Chain : | A | ||||||||
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UniProt : | P00760 (TRY1_BOVIN) | ||||||||
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