Browse entries in the PDBbind-CN Database

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Related entries of code: 3ap4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ap7RCSB PDB    PDBbind154aa, >3AP7_1|Chain... at 100%
5t7sRCSB PDB    PDBbind155aa, >5T7S_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3i8tRCSB PDB    PDBbindLBT
4oujRCSB PDB    PDBbindLBT
5t7sRCSB PDB    PDBbindLBT
Entry Information
PDB ID3ap4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGalectin-8
Ligand NameLBT
EC.Number E.C.-.-.-.-
Resolution 2.33(Å)
Affinity (Kd/Ki/IC50)Kd=0.12mM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 11346-11355
Ligand Properties
Formula C12H22O11
Molecular Weight 342.296
Exact Mass 342.116
No. of atoms 45
No. of bonds 46
Polar Surface Area 189.53
LOGP Value -4.73      (Computed with XLOGP3)
-5.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
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): O00214  
Entrez Gene IDNCBI Entrez Gene ID: 3964  
ASDInformation of known allosteric effects of PDB entries
 
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