5MN1

Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 100 K)

Summary for 5MN1

Entry DOI	10.2210/pdb5mn1/pdb
Descriptor	Cationic trypsin, CALCIUM ION, SULFATE ION, ... (5 entities in total)
Functional Keywords	hydrogen bonding, protonation, protein-ligand interaction, hydrolase
Biological source	Bos taurus (Bovine)
Cellular location	Secreted, extracellular space: P00760
Total number of polymer chains	1
Total formula weight	23843.74
Authors	Schiebel, J.,Heine, A.,Klebe, G. (deposition date: 2016-12-12, release date: 2017-05-24, Last modification date: 2024-01-17)
Primary citation	Schiebel, J.,Gaspari, R.,Sandner, A.,Ngo, K.,Gerber, H.D.,Cavalli, A.,Ostermann, A.,Heine, A.,Klebe, G. Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56:4887-4890, 2017 Cited by PubMed: 28371253 DOI: 10.1002/anie.201701038 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (0.79 Å)

Structure validation