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Related entries of code: 1grp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
9icdRCSB PDB    PDBbind416aa, >9ICD_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1grp
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameisocitrate dehydrogenase
Ligand NameICT
EC.Number E.C.1.1.1.42
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=0.189mM
Release Year1996
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v5 pp. 287-95, 1996
Ligand Properties
Formula C6H8O7
Molecular Weight 192.124
Exact Mass 192.027
No. of atoms 21
No. of bonds 20
Polar Surface Area 132.13
LOGP Value 1.73      (Computed with XLOGP3)
-1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
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): P08200  
Entrez Gene IDNCBI Entrez Gene ID: 945702  
ASDInformation of known allosteric effects of PDB entries

 
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