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Related entries of code: 4hgl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4g16RCSB PDB    PDBbind330aa, >4G16_1|Chain... *
4g17RCSB PDB    PDBbind330aa, >4G17_1|Chain... at 100%
4hgsRCSB PDB    PDBbind330aa, >4HGS_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4hgl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCasein kinase I isoform gamma-3
Ligand Name0YO
EC.Number E.C.2.7.11.1
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=8nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) ACS MED.CHEM.LETT. Vol. 3: pp. 1059-1064
Ligand Properties
Formula C21H17N5O2
Molecular Weight 371.392
Exact Mass 371.138
No. of atoms 45
No. of bonds 49
Polar Surface Area 92.79
LOGP Value 1.94      (Computed with XLOGP3)
3.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): Q9Y6M4  
Entrez Gene IDNCBI Entrez Gene ID: 1456  
ASDInformation of known allosteric effects of PDB entries

 
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