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Related entries of code: 3sut
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3surRCSB PDB    PDBbind525aa, >3SUR_1|Chain... *
3susRCSB PDB    PDBbind525aa, >3SUS_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
2cbjRCSB PDB    PDBbindOAN
2oxnRCSB PDB    PDBbindOAN
2vcbRCSB PDB    PDBbindOAN
2vvsRCSB PDB    PDBbindOAN
3ozpRCSB PDB    PDBbindOAN
3s6tRCSB PDB    PDBbindOAN
4az6RCSB PDB    PDBbindOAN
4azbRCSB PDB    PDBbindOAN
4azgRCSB PDB    PDBbindOAN
4aziRCSB PDB    PDBbindOAN
5a6bRCSB PDB    PDBbindOAN
5mi5RCSB PDB    PDBbindOAN
5mi7RCSB PDB    PDBbindOAN
Entry Information
PDB ID3sut
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-hexosaminidase
Ligand NameOAN
EC.Number E.C.3.2.1.52
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=14nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Org.Biomol.Chem. Vol. 10: pp. 2607-2612
Ligand Properties
Formula C15H22N3O7
Molecular Weight 356.351
Exact Mass 356.146
No. of atoms 47
No. of bonds 48
Polar Surface Area 153.96
LOGP Value -0.86      (Computed with XLOGP3)
-1.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
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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