Browse entries in the PDBbind-CN Database

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Related entries of code: 5wzr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4do4RCSB PDB    PDBbindDJN

Entry Information
PDB ID5wzr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAlpha-N-acetylgalactosaminidase
Ligand NameDJN
EC.Number E.C.-.-.-.-
Resolution 2.79(Å)
Affinity (Kd/Ki/IC50)Ki=51nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Biol. Chem. Vol. 292: pp. 12126-12138
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 -2.35      (Computed with XLOGP3)
-1.89      (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): G5ELM1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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