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5MOS

Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine

Summary for 5MOS
Entry DOI10.2210/pdb5mos/pdb
Related5MNO 5MO2
DescriptorCationic trypsin, CALCIUM ION, [azanyl(piperidin-1-yl)methylidene]azanium, ... (5 entities in total)
Functional Keywordshydrogen bonding, protonation, protein-ligand interaction, hydrolase
Biological sourceBos taurus (Bovine)
Total number of polymer chains1
Total formula weight23588.62
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: 2018-11-14)
Primary citationSchiebel, 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: 30177695
DOI: 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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