3N21

Crystal structure of Thermolysin in complex with S-1,2-Propandiol

Summary for 3N21

Entry DOI	10.2210/pdb3n21/pdb
Related	3MS3 3MSA 3MSF 3MSN
Descriptor	Thermolysin, ZINC ION, CALCIUM ION, ... (5 entities in total)
Functional Keywords	protease, hydrolase, fragment soaking, metalloprotease, metal-binding, secreted, zymogen, s-1, 2-propandiol, fragment based lead discovery
Biological source	Bacillus thermoproteolyticus
Total number of polymer chains	1
Total formula weight	34662.15
Authors	Behnen, J.,Heine, A.,Klebe, G. (deposition date: 2010-05-17, release date: 2011-05-25, Last modification date: 2024-02-21)
Primary citation	Behnen, J.,Koster, H.,Neudert, G.,Craan, T.,Heine, A.,Klebe, G. Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7:248-261, 2012 Cited by PubMed: 22213702 DOI: 10.1002/cmdc.201100490 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.87 Å)

Structure validation