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PDBsum entry 3sap
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protein ligands metals links
Lyase/lyase inhibitor PDB id
3sap

 

 

 

 

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Contents
Protein chain
257 a.a.
Ligands
BCN
MES
DMS
E2I
Metals
_ZN
Waters ×195
PDB id:
3sap
Name: Lyase/lyase inhibitor
Title: Crystal structure of human carbonic anhydrase isozyme ii with 4-{[(5- butyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Structure: Carbonic anhydrase 2. Chain: a. Synonym: carbonate dehydratase ii, carbonic anhydrasE C, cac, 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:
1.75Å     R-factor:   0.182     R-free:   0.229
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
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00918  (CAH2_HUMAN) -  Carbonic anhydrase 2 from Homo sapiens
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  - carbonic anhydrase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: hydrogencarbonate + H+ = CO2 + H2O
hydrogencarbonate
 + H(+)
 = CO2
 + H2O
      Cofactor: Zn(2+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site

 

 
    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.

 

 

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