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PDBsum entry 3m1k

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protein ligands metals links
Lyase PDB id
3m1k
Jmol
Contents
Protein chain
256 a.a. *
Ligands
BEW
BE7
Metals
_ZN
Waters ×239
* Residue conservation analysis
PDB id:
3m1k
Name: Lyase
Title: Carbonic anhydrase in complex with fragment
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: 562.
Resolution:
1.35Å     R-factor:   0.130     R-free:   0.186
Authors: J.Schulze Wischeler,A.Heine,G.Klebe
Key ref: J.Schulze Wischeler et al. (2010). Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry. ChemMedChem, 5, 1609-1615. PubMed id: 20629007
Date:
05-Mar-10     Release date:   17-Nov-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00918  (CAH2_HUMAN) -  Carbonic anhydrase 2
Seq:
Struc:
260 a.a.
256 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    
 
 
ChemMedChem 5:1609-1615 (2010)
PubMed id: 20629007  
 
 
Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry.
J.Schulze Wischeler, A.Innocenti, D.Vullo, A.Agrawal, S.M.Cohen, A.Heine, C.T.Supuran, G.Klebe.
 
  ABSTRACT  
 
No abstract given.