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PDBsum entry 3msf

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protein ligands metals links
Hydrolase PDB id
3msf
Jmol
Contents
Protein chain
316 a.a.
Ligands
URE
GOL ×3
Metals
_ZN
_CA ×4
Waters ×163
PDB id:
3msf
Name: Hydrolase
Title: Crystal structure of thermolysin in complex with urea
Structure: Thermolysin. Chain: a. Synonym: thermostable neutral proteinase. Ec: 3.4.24.27
Source: Bacillus thermoproteolyticus. Organism_taxid: 1427
Resolution:
2.09Å     R-factor:   0.183     R-free:   0.248
Authors: J.Behnen,A.Heine,G.Klebe
Key ref: J.Behnen et al. (2012). Experimental and computational active site mapping as a starting point to fragment-based lead discovery. ChemMedChem, 7, 248-261. PubMed id: 22213702
Date:
29-Apr-10     Release date:   11-May-11    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00800  (THER_BACTH) -  Thermolysin
Seq:
Struc:
 
Seq:
Struc:
548 a.a.
316 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.3.4.24.27  - Thermolysin.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Preferential cleavage: Xaa-|-Leu > Xaa-|-Phe.
      Cofactor: Ca(2+); Zn(2+)
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     proteolysis   1 term 
  Biochemical function     metalloendopeptidase activity     1 term  

 

 
ChemMedChem 7:248-261 (2012)
PubMed id: 22213702  
 
 
Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
J.Behnen, H.Köster, G.Neudert, T.Craan, A.Heine, G.Klebe.
 
  ABSTRACT  
 
No abstract given.