5MNA
Cationic trypsin in complex with aniline (deuterated sample at 295 K)
Summary for 5MNA
Entry DOI | 10.2210/pdb5mna/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 | 23553.55 |
Authors | Schiebel, J.,Heine, A.,Klebe, G. (deposition date: 2016-12-13, 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: 28371253DOI: 10.1002/anie.201701038 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.441 Å) |
Structure validation
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