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PDBsum entry 3sax

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protein ligands metals links
Lyase/lyase inhibitor PDB id
3sax
Jmol
Contents
Protein chain
258 a.a.
Ligands
E50
BCN
DMS ×2
Metals
_ZN
Waters ×377
PDB id:
3sax
Name: Lyase/lyase inhibitor
Title: Crystal structure of human carbonic anhydrase isozyme ii wit chloro-5-{[(5-ethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesu
Structure: Carbonic anhydrase 2. Chain: a. Synonym: carbonate dehydratase ii, carbonic anhydrasE C, ca carbonic anhydrase ii, ca-ii. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: ca2. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
1.10Å     R-factor:   0.129     R-free:   0.158
Authors: S.Grazulis,E.Manakova,G.Tamulaitiene
Key ref: E.Čapkauskaitė et al. (2012). Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur J Med Chem, 51, 259-270. PubMed id: 22440859
Date:
03-Jun-11     Release date:   11-Apr-12    
PROCHECK
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 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: Zn(2+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular space   11 terms 
  Biological process     angiotensin-mediated signaling pathway   22 terms 
  Biochemical function     protein binding     5 terms  

 

 
    Added reference    
 
 
Eur J Med Chem 51:259-270 (2012)
PubMed id: 22440859  
 
 
Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
E.Čapkauskaitė, A.Zubrienė, L.Baranauskienė, G.Tamulaitienė, E.Manakova, V.Kairys, S.Gražulis, S.Tumkevičius, D.Matulis.
 
  ABSTRACT  
 
No abstract given.