Browse entries in the PDBbind-CN Database

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Related entries of code: 2q8i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1y8nRCSB PDB    PDBbind128aa, >1Y8N_2|Chain... *
1y8oRCSB PDB    PDBbind128aa, >1Y8O_2|Chain... at 100%
1y8pRCSB PDB    PDBbind128aa, >1Y8P_2|Chain... at 100%
3crkRCSB PDB    PDBbind87aa, >3CRK_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1bgqRCSB PDB    PDBbindRDC
2werRCSB PDB    PDBbindRDC
2zbkRCSB PDB    PDBbindRDC
3cgyRCSB PDB    PDBbindRDC
4egkRCSB PDB    PDBbindRDC
Entry Information
PDB ID2q8i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePyruvate dehydrogenase kinase (PDK3) isoforms
Ligand NameRDC
EC.Number E.C.2.7.11.2
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=400uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Structure Vol. 15: pp. 992-1004
Ligand Properties
Formula C18H17ClO6
Molecular Weight 364.777
Exact Mass 364.071
No. of atoms 42
No. of bonds 44
Polar Surface Area 96.36
LOGP Value 3.36      (Computed with XLOGP3)
2.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q15120  P10515  
Entrez Gene IDNCBI Entrez Gene ID: 5165  1737  
ASDInformation of known allosteric effects of PDB entries
 
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