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Related entries of code: 3vtr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nsnRCSB PDB    PDBbind572aa, >3NSN_1|Chain... at 99%
3ozpRCSB PDB    PDBbind572aa, >3OZP_1|Chain... at 99%
3s6tRCSB PDB    PDBbind575aa, >3S6T_1|Chain... *
3wmbRCSB PDB    PDBbind572aa, >3WMB_1|Chain... at 99%
3wmcRCSB PDB    PDBbind572aa, >3WMC_1|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 ID3vtr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameN-acetylglucosaminidase(E328A mutant)
Ligand NameTCG
EC.Number E.C.3.2.1.52
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=2.714uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Plos One Vol. 7: pp. e52225-e52225
Ligand Properties
Formula C33H59N4O20
Molecular Weight 831.836
Exact Mass 831.372
No. of atoms 116
No. of bonds 119
Polar Surface Area 354.21
LOGP Value -8.29      (Computed with XLOGP3)
-7.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 4
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): Q06GJ0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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