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3NN7

Crystal structure of Thermolysin in complex with 2-bromoacetate

Summary for 3NN7
Entry DOI10.2210/pdb3nn7/pdb
Related3MS3 3MSA 3MSF 3MSN 3N21
DescriptorThermolysin, ZINC ION, CALCIUM ION, ... (5 entities in total)
Functional Keywordsprotease, hydrolase, fragment soaking, metalloprotease, metal-binding, secreted, zymogen, 2-bromoacetate, fragment-based lead discovery
Biological sourceBacillus thermoproteolyticus
Total number of polymer chains1
Total formula weight34725.00
Authors
Behnen, J.,Heine, A.,Klebe, G. (deposition date: 2010-06-23, release date: 2011-05-25, Last modification date: 2023-09-06)
Primary citationBehnen, 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 (2.05 Å)
Structure validation

217705

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