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Related entries of code: 4aoc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4aoc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBC2L-A LECTIN
Ligand NameA1Q
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Kd=53.8uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Glycobiology Vol. 22: pp. 1387
Ligand Properties
Formula C8H16O7
Molecular Weight 224.208
Exact Mass 224.090
No. of atoms 31
No. of bonds 31
Polar Surface Area 119.61
LOGP Value -2.67      (Computed with XLOGP3)
-3.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): A0A0H2Y045  
Entrez Gene IDNCBI Entrez Gene ID: 56560909  
ASDInformation of known allosteric effects of PDB entries
 
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