Browse entries in the PDBbind-CN Database

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Related entries of code: 6bky
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6bkxRCSB PDB    PDBbind425aa, >6BKX_1|Chains... *
6bl1RCSB PDB    PDBbind425aa, >6BL1_1|Chains... at 100%
6bl2RCSB PDB    PDBbind425aa, >6BL2_1|Chains... at 100%
6q6fRCSB PDB    PDBbind414aa, >6Q6F_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2oxdRCSB PDB    PDBbindK32

Entry Information
PDB ID6bky
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameIsocitrate dehydrogenase [NADP] cytoplasmic
Ligand NameK32
EC.Number E.C.1.1.1.42
Resolution 2.17(Å)
Affinity (Kd/Ki/IC50)IC50=270nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 6647-6657
Ligand Properties
Formula C7H2Br4N2O
Molecular Weight 449.720
Exact Mass 445.690
No. of atoms 16
No. of bonds 17
Polar Surface Area 48.65
LOGP Value 3.33      (Computed with XLOGP3)
3.91      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
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): O75874  
Entrez Gene IDNCBI Entrez Gene ID: 3417  
ASDInformation of known allosteric effects of PDB entries

 
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