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Related entries of code: 1jak
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hp5RCSB PDB    PDBbind512aa, >1HP5_1|Chain... *
5fczRCSB PDB    PDBbind512aa, >5FCZ_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 ID1jak
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namebeta-n-acetylhexosaminidase
Ligand NameIFG
EC.Number E.C.3.2.1.52
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=2.7uM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v276 pp. 42131-7, 2001
Ligand Properties
Formula C8H17N2O4
Molecular Weight 205.232
Exact Mass 205.119
No. of atoms 31
No. of bonds 31
Polar Surface Area 106.4
LOGP Value -2.06      (Computed with XLOGP3)
-1.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): O85361  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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