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Related entries of code: 5hg1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5hexRCSB PDB    PDBbind923aa, >5HEX_1|Chains... *
5hfuRCSB PDB    PDBbind923aa, >5HFU_1|Chains... 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 ID5hg1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Hexokinase 2
Ligand Name62C
EC.Number E.C.2.7.1.1
Resolution 2.76(Å)
Affinity (Kd/Ki/IC50)IC50=6.3uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Med.Chem.Lett. Vol. 7: pp. 217-222
Ligand Properties
Formula C15H17Cl2NO6
Molecular Weight 378.205
Exact Mass 377.043
No. of atoms 41
No. of bonds 42
Polar Surface Area 119.25
LOGP Value 0.75      (Computed with XLOGP3)
0.31      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
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): P52789  
Entrez Gene IDNCBI Entrez Gene ID: 3099  
ASDInformation of known allosteric effects of PDB entries

 
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