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PDBsum entry 3m67

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protein ligands metals links
Lyase/lyase inhibitor PDB id
3m67
Jmol
Contents
Protein chain
257 a.a. *
Ligands
E36
DMS ×2
Metals
_ZN
Waters ×158
* Residue conservation analysis
PDB id:
3m67
Name: Lyase/lyase inhibitor
Title: Crystal structure of human carbonic anhydrase isozyme ii wit chloro-5-[(6,7-dihydro-1h-[1,4]dioxino[2,3-f]benzimidazol-2 ylsulfanyl)acetyl]benzenesulfonamide
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. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
1.80Å     R-factor:   0.181     R-free:   0.228
Authors: S.Grazulis,E.Manakova,D.Golovenko
Key ref: E.Čapkauskaitė et al. (2010). Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. Bioorg Med Chem, 18, 7357-7364. PubMed id: 20926301 DOI: 10.1016/j.bmc.2010.09.016
Date:
15-Mar-10     Release date:   03-Nov-10    
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: 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   21 terms 
  Biochemical function     protein binding     5 terms  

 

 
    Added reference    
 
 
DOI no: 10.1016/j.bmc.2010.09.016 Bioorg Med Chem 18:7357-7364 (2010)
PubMed id: 20926301  
 
 
Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
E.Čapkauskaitė, L.Baranauskienė, D.Golovenko, E.Manakova, S.Gražulis, S.Tumkevičius, D.Matulis.
 
  ABSTRACT  
 
No abstract given.