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Related entries of code: 5a6k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5a69RCSB PDB    PDBbind649aa, >5A69_1|Chain... *
5a6aRCSB PDB    PDBbind649aa, >5A6A_1|Chains... at 100%
5a6bRCSB PDB    PDBbind648aa, >5A6B_2|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5a6k
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGH20C, Beta-hexosaminidase from Streptococcus pneumoniae
Ligand NameNSG
EC.Number E.C.3.2.1.52
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=1130nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Biol.Chem. Vol. 290: pp. 30888-30900
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): A0A0H2US73  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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