Browse entries in the PDBbind-CN Database

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Related entries of code: 9icd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1grpRCSB PDB    PDBbind416aa, >1GRP_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID9icd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameisocitrate dehydrogenase
Ligand NameNAP
EC.Number E.C.1.1.1.42
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=125uM
Release Year1991
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v30 pp. 8671-8, 1991
Ligand Properties
Formula C10H17N5O10P2
Molecular Weight 429.217
Exact Mass 429.045
No. of atoms 44
No. of bonds 46
Polar Surface Area 266.1
LOGP Value -4.97      (Computed with XLOGP3)
-2.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 15
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): P08200  
Entrez Gene IDNCBI Entrez Gene ID: 945702  
ASDInformation of known allosteric effects of PDB entries

 
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