5MNQ

Cationic trypsin in complex with a derivative of N-amidinopiperidine

Summary for 5MNQ

Entry DOI	10.2210/pdb5mnq/pdb
Descriptor	Cationic trypsin, CALCIUM ION, SULFATE ION, ... (6 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	24401.46
Authors	Schiebel, J.,Ngo, K.,Heine, A.,Klebe, G. (deposition date: 2016-12-13, release date: 2018-01-17, 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	X-RAY DIFFRACTION (1.337 Å)

Structure validation