3MS3
Crystal structure of Thermolysin in complex with Aniline
Summary for 3MS3
| Entry DOI | 10.2210/pdb3ms3/pdb |
| Related | 3MSA 3MSF 3MSN |
| Descriptor | Thermolysin, ZINC ION, CALCIUM ION, ... (8 entities in total) |
| Functional Keywords | protease, hydrolase, aniline, fragement soaking, fragment based lead discovery, metalloprotease, metal-binding, secreted, zymogen |
| Biological source | Bacillus thermoproteolyticus |
| Total number of polymer chains | 1 |
| Total formula weight | 35277.88 |
| Authors | Behnen, J.,Heine, A.,Klebe, G. (deposition date: 2010-04-29, release date: 2011-05-11, Last modification date: 2023-09-06) |
| 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: 22213702DOI: 10.1002/cmdc.201100490 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.54 Å) |
Structure validation
Download full validation report
