spacer
spacer

PDBsum entry 3a0i

Go to PDB code: 
protein ligands metals links
Transferase PDB id
3a0i
Jmol
Contents
Protein chain
448 a.a. *
Ligands
GLC
AJI
Metals
_NA
Waters ×137
* Residue conservation analysis
PDB id:
3a0i
Name: Transferase
Title: Human glucokinase in complex with a synthetic activator
Structure: Glucokinase. Chain: x. Fragment: enzyme, unp residues 12-466. Synonym: human hepatic glucokinase, hexokinase type iv, hk iv, hexokinase-4, hk4, hexokinase-d. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
2.20Å     R-factor:   0.229     R-free:   0.277
Authors: K.Kamata,M.Mitsuya
Key ref: M.Mitsuya et al. (2009). Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators. Bioorg Med Chem Lett, 19, 2718-2721. PubMed id: 19362831 DOI: 10.1016/j.bmcl.2009.03.137
Date:
19-Mar-09     Release date:   28-Apr-09    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P35557  (HXK4_HUMAN) -  Glucokinase
Seq:
Struc:
465 a.a.
448 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.2.7.1.2  - Glucokinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + D-glucose = ADP + D-glucose 6-phosphate
ATP
+
D-glucose
Bound ligand (Het Group name = GLC)
corresponds exactly
= ADP
+ D-glucose 6-phosphate
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     cytoplasm   7 terms 
  Biological process     metabolic process   35 terms 
  Biochemical function     catalytic activity     15 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2009.03.137 Bioorg Med Chem Lett 19:2718-2721 (2009)
PubMed id: 19362831  
 
 
Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators.
M.Mitsuya, K.Kamata, M.Bamba, H.Watanabe, Y.Sasaki, K.Sasaki, S.Ohyama, H.Hosaka, Y.Nagata, J.Eiki, T.Nishimura.
 
  ABSTRACT  
 
A novel class of 3,6-disubstituted 2-pyridinecarboxamide derivatives was designed based on X-ray analysis of the 2-aminobenzamide lead class. Subsequent chemical modification led to the discovery of potent GK activators which eliminate potential toxicity concerns associated with an aniline group of the lead structure. Compound 7 demonstrated glucose lowering effect in a rat OGTT model.