5MOS
Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine
Summary for 5MOS
Entry DOI | 10.2210/pdb5mos/pdb |
Related | 5MNO 5MO2 |
Descriptor | Cationic trypsin, CALCIUM ION, [azanyl(piperidin-1-yl)methylidene]azanium, ... (5 entities in total) |
Functional Keywords | hydrogen bonding, protonation, protein-ligand interaction, hydrolase |
Biological source | Bos taurus (Bovine) |
Total number of polymer chains | 1 |
Total formula weight | 23588.62 |
Authors | Schiebel, J.,Schrader, T.E.,Ostermann, A.,Heine, A.,Klebe, G. (deposition date: 2016-12-14, release date: 2018-02-28, Last modification date: 2024-05-01) |
Primary citation | Schiebel, J.,Gaspari, R.,Wulsdorf, T.,Ngo, K.,Sohn, C.,Schrader, T.E.,Cavalli, A.,Ostermann, A.,Heine, A.,Klebe, G. Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9:3559-3559, 2018 Cited by PubMed: 30177695DOI: 10.1038/s41467-018-05769-2 PDB entries with the same primary citation |
Experimental method | NEUTRON DIFFRACTION (1.5 Å) X-RAY DIFFRACTION (0.96 Å) |
Structure validation
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