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PDBsum entry 3oys

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protein ligands metals links
Lyase/lyase inhibitor PDB id
3oys
Jmol
Contents
Protein chain
257 a.a.
Ligands
GOL
OYS
DMS
Metals
_ZN
Waters ×177
PDB id:
3oys
Name: Lyase/lyase inhibitor
Title: Human carbonic anhydrase ii complexed with 2-{[4-amino-3-(3- hydroxyprop-1-yn-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl]met methyl-3-(2-methylphenyl)quinazolin-4(3h)-one
Structure: Carbonic anhydrase 2. Chain: a. Synonym: carbonic anhydrase ii, ca-ii, carbonate dehydratas carbonic anhydrasE C, cac. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: ca2. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
1.54Å     R-factor:   0.157     R-free:   0.174
Authors: M.Aggarwal,R.Mckenna
Key ref: N.Hen et al. (2011). Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV. J Med Chem, 54, 3977-3981. PubMed id: 21506569
Date:
23-Sep-10     Release date:   10-Aug-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00918  (CAH2_HUMAN) -  Carbonic anhydrase 2
Seq:
Struc:
260 a.a.
257 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    
 
 
J Med Chem 54:3977-3981 (2011)
PubMed id: 21506569  
 
 
Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
N.Hen, M.Bialer, B.Yagen, A.Maresca, M.Aggarwal, A.H.Robbins, R.McKenna, A.Scozzafava, C.T.Supuran.
 
  ABSTRACT  
 
No abstract given.