5MNR

Thermolysin in complex with inhibitor JC256

Summary for 5MNR

Entry DOI	10.2210/pdb5mnr/pdb
Descriptor	Thermolysin, ZINC ION, CALCIUM ION, ... (7 entities in total)
Functional Keywords	inhibitor, phosphonamidate, protease, hydrolase
Biological source	Bacillus thermoproteolyticus
Cellular location	Secreted: P00800
Total number of polymer chains	1
Total formula weight	35397.08
Authors	Cramer, J.,Krimmer, S.G.,Heine, A.,Klebe, G. (deposition date: 2016-12-13, release date: 2017-06-21, Last modification date: 2024-01-17)
Primary citation	Cramer, J.,Krimmer, S.G.,Heine, A.,Klebe, G. Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60:5791-5799, 2017 Cited by PubMed: 28590130 DOI: 10.1021/acs.jmedchem.7b00490 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.249 Å)

Structure validation