5MNA

Cationic trypsin in complex with aniline (deuterated sample at 295 K)

Summary for 5MNA
DescriptorCationic trypsin, CALCIUM ION, SULFATE ION, ... (5 entities in total)
Functional Keywordshydrogen bonding, protonation, protein-ligand interaction, hydrolase
Biological sourceBos taurus (Bovine)
Cellular locationSecreted, extracellular space: P00760
Total number of polymer chains1
Total formula weight23553.55
Authors
Schiebel, J.,Heine, A.,Klebe, G. (deposition date: 2016-12-13, release date: 2017-05-24)
Primary citationCavalli, A.,Gaspari, R.,Gerber, H.D.,Heine, A.,Klebe, G.,Ngo, K.,Ostermann, A.,Sandner, A.,Schiebel, J.
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
PubMed: 28371253
DOI: 110.1002/anie.201701038
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.441 Å)
Structure validation
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178938

PDB entries from 2021-06-16