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PDBsum entry 2weg

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protein ligands metals links
Lyase PDB id
2weg
Jmol
Contents
Protein chain
258 a.a. *
Ligands
FBV
GOL
Metals
_ZN
Waters ×287
* Residue conservation analysis
PDB id:
2weg
Name: Lyase
Title: Thermodynamic optimisation of carbonic anhydrase fragment inhibitors
Structure: Carbonic anhydrase 2. Chain: a. Fragment: residues 2-260. Synonym: carbonic anhydrase ii, carbonate dehydratase ii, carbonic anhydrasE C, ca-ii, cac. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562
Resolution:
1.10Å     R-factor:   0.166     R-free:   0.183
Authors: A.D.Scott,C.Phillips,A.Alex,A.Bent,R.O'Brien,L.Damian, L.H.Jones
Key ref: A.D.Scott et al. (2009). Thermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitors. ChemMedChem, 4, 1985-1989. PubMed id: 19882701
Date:
31-Mar-09     Release date:   10-Nov-09    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00918  (CAH2_HUMAN) -  Carbonic anhydrase 2
Seq:
Struc:
260 a.a.
258 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.4.2.1.1  - Carbonate dehydratase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: H2CO3 = CO2 + H2O
H(2)CO(3)
= CO(2)
+ H(2)O
      Cofactor: Zinc
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular space   10 terms 
  Biological process     angiotensin-mediated signaling pathway   20 terms 
  Biochemical function     protein binding     5 terms  

 

 
    Added reference    
 
 
ChemMedChem 4:1985-1989 (2009)
PubMed id: 19882701  
 
 
Thermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitors.
A.D.Scott, C.Phillips, A.Alex, M.Flocco, A.Bent, A.Randall, R.O'Brien, L.Damian, L.H.Jones.
 
  ABSTRACT  
 
No abstract given.

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21157775 R.J.Falconer, and B.M.Collins (2011).
Survey of the year 2009: applications of isothermal titration calorimetry.
  J Mol Recognit, 24, 1.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.