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Related entries of code: 4do4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4do5RCSB PDB    PDBbind400aa, >4DO5_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5wzrRCSB PDB    PDBbindDJN

Entry Information
PDB ID4do4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAlpha-N-acetylgalactosaminidase
Ligand NameDJN
EC.Number E.C.3.2.1.49
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Ki=51nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Proc.Natl.Acad.Sci.USA Vol. 109: pp. 17400-17405
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): P17050  
Entrez Gene IDNCBI Entrez Gene ID: 4668  
ASDInformation of known allosteric effects of PDB entries

 
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