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PDBsum entry 4i3l

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protein ligands Protein-protein interface(s) links
Oxidoreductase/oxidoreductase inhibitor PDB id
4i3l
Jmol
Contents
Protein chain
367 a.a.
Ligands
NDP ×2
SO4 ×2
1BZ
PDB id:
4i3l
Name: Oxidoreductase/oxidoreductase inhibitor
Title: Crystal structure of a metabolic reductase with 6-benzyl-1-h methylpyridin-2(1h)-one
Structure: Isocitrate dehydrogenase [nadp] cytoplasmic. Chain: a, b. Synonym: idh, cytosolic NADP-isocitrate dehydrogenase, idp, specific icdh, oxalosuccinate decarboxylase. Engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: idh1, picd. Expressed in: escherichia coli. Expression_system_taxid: 469008
Resolution:
3.29Å     R-factor:   0.223     R-free:   0.293
Authors: B.Zheng,Y.Yao,Z.Liu,L.Deng,J.L.Anglin,H.Jiang,B.V.V.Prasad,Y
Key ref: B.Zheng et al. (2013). Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. ACS Med Chem Lett, 4, 542-546. PubMed id: 23795241 DOI: 10.1021/ml400036z
Date:
26-Nov-12     Release date:   22-May-13    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
O75874  (IDHC_HUMAN) -  Isocitrate dehydrogenase [NADP] cytoplasmic
Seq:
Struc:
414 a.a.
367 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Enzyme reactions 
   Enzyme class: E.C.1.1.1.42  - Isocitrate dehydrogenase (NADP(+)).
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]

      Pathway:
Citric acid cycle
      Reaction: Isocitrate + NADP+ = 2-oxoglutarate + CO2 + NADPH
Isocitrate
+
NADP(+)
Bound ligand (Het Group name = NDP)
corresponds exactly
= 2-oxoglutarate
+ CO(2)
+ NADPH
      Cofactor: Mn(2+) or Mg(2+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     cytoplasm   6 terms 
  Biological process     small molecule metabolic process   13 terms 
  Biochemical function     oxidoreductase activity     9 terms  

 

 
    reference    
 
 
DOI no: 10.1021/ml400036z ACS Med Chem Lett 4:542-546 (2013)
PubMed id: 23795241  
 
 
Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
B.Zheng, Y.Yao, Z.Liu, L.Deng, J.L.Anglin, H.Jiang, B.V.Prasad, Y.Song.
 
  ABSTRACT  
 
No abstract given.