3MSF

Crystal structure of Thermolysin in complex with Urea

Summary for 3MSF

Related3MS3 3MSA 3MSN
DescriptorThermolysin, ZINC ION, CALCIUM ION, ... (6 entities in total)
Functional Keywordsprotease, hydrolase, fragment soaking, metalloprotease, metal-binding, secreted, zymogen, urea, fragment based lead discovery
Biological sourceBacillus thermoproteolyticus
Cellular locationSecreted P00800
Total number of polymer chains1
Total molecular weight34922.39
Authors
Behnen, J.,Heine, A.,Klebe, G. (deposition date: 2010-04-29, release date: 2011-05-11, Last modification date: 2012-02-15)
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
PubMed: 22213702 (PDB entries with the same primary citation)
DOI: 10.1002/cmdc.201100490
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.09 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.207702.8%0MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3msf
no rotation
Molmil generated image of 3msf
rotated about x axis by 90°
Molmil generated image of 3msf
rotated about y axis by 90°