5MON
Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine
Summary for 5MON
Entry DOI | 10.2210/pdb5mon/pdb |
Related | 5MNB 5MNX |
Descriptor | Cationic trypsin, CALCIUM ION, 2-AMINOPYRIDINE, ... (5 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 | 23555.55 |
Authors | Schiebel, J.,Schrader, T.E.,Ostermann, A.,Heine, A.,Klebe, G. (deposition date: 2016-12-14, release date: 2017-05-24, Last modification date: 2024-05-01) |
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 | NEUTRON DIFFRACTION (1.42 Å) X-RAY DIFFRACTION (0.939 Å) |
Structure validation
Download full validation report