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Related entries of code: 3sus
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3surRCSB PDB    PDBbind525aa, >3SUR_1|Chain... *
3sutRCSB PDB    PDBbind525aa, >3SUT_1|Chain... at 100%
3suuRCSB PDB    PDBbind525aa, >3SUU_1|Chain... at 100%
3suvRCSB PDB    PDBbind525aa, >3SUV_1|Chain... at 100%
3suwRCSB PDB    PDBbind525aa, >3SUW_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 ID3sus
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-hexosaminidase
Ligand NameGNL
EC.Number E.C.3.2.1.52
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=71uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Org.Biomol.Chem. Vol. 10: pp. 2607-2612
Ligand Properties
Formula C8H16NO4S
Molecular Weight 222.282
Exact Mass 222.080
No. of atoms 30
No. of bonds 31
Polar Surface Area 111.83
LOGP Value -0.70      (Computed with XLOGP3)
-0.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): D2KW09  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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