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PDBsum entry 3ms3

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protein ligands metals links
Hydrolase PDB id
3ms3

 

 

 

 

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JSmol PyMol  
Contents
Protein chain
316 a.a.
Ligands
ANL
IPA
GOL ×5
DMS
Metals
_ZN
_CA ×4
Waters ×235
PDB id:
3ms3
Name: Hydrolase
Title: Crystal structure of thermolysin in complex with aniline
Structure: Thermolysin. Chain: a. Synonym: thermostable neutral proteinase. Ec: 3.4.24.27
Source: Bacillus thermoproteolyticus. Organism_taxid: 1427
Resolution:
1.54Å     R-factor:   0.141     R-free:   0.192
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 from Bacillus thermoproteolyticus
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+)

 

 
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.

 

 

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