5MO0

Neutron structure of cationic trypsin in complex with benzamidine

Summary for 5MO0

Entry DOI	10.2210/pdb5mo0/pdb
Descriptor	Cationic trypsin, CALCIUM ION, BENZAMIDINE, ... (4 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	23484.52
Authors	Schiebel, J.,Schrader, T.E.,Ostermann, A.,Heine, A.,Klebe, G. (deposition date: 2016-12-13, release date: 2018-02-28, Last modification date: 2024-01-17)
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: 30177695 DOI: 10.1038/s41467-018-05769-2 PDB entries with the same primary citation
Experimental method	NEUTRON DIFFRACTION (1.502 Å)

Structure validation