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Related entries of code: 5i23
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4b9zRCSB PDB    PDBbind817aa, >4B9Z:A|PDBID|CHAIN|... at 97%
5i24RCSB PDB    PDBbind836aa, >5I24:A|PDBID|CHAIN|... at 100%
5npbRCSB PDB    PDBbind836aa, >5NPB:A|PDBID|CHAIN|... at 100%
5npcRCSB PDB    PDBbind835aa, >5NPC:A|PDBID|CHAIN|... at 99%
5npdRCSB PDB    PDBbind835aa, >5NPD:A|PDBID|CHAIN|... at 99%
5npeRCSB PDB    PDBbind836aa, >5NPE:A|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5i23
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAgd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31
Ligand Name66V
EC.Number E.C.2.4.1.161
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)IC50=51.7nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Cent.Sci. Vol. 2: pp. 351-358
Ligand Properties
Formula C15H31N4O4
Molecular Weight 331.431
Exact Mass 331.235
No. of atoms 54
No. of bonds 54
Polar Surface Area 147.28
LOGP Value 1.68      (Computed with XLOGP3)
-0.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 8
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): B3PEE6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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