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Related entries of code: 4yw6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1okoRCSB PDB    PDBbind121aa, >1OKO_1|Chains... at 100%
2vxjRCSB PDB    PDBbind121aa, >2VXJ_1|Chains... at 100%
2wyfRCSB PDB    PDBbind121aa, >2WYF_1|Chains... at 100%
3zybRCSB PDB    PDBbind122aa, >3ZYB_1|Chains... *
3zyfRCSB PDB    PDBbind122aa, >3ZYF_1|Chains... at 100%
3zyhRCSB PDB    PDBbind122aa, >3ZYH_1|Chains... at 100%
4a6sRCSB PDB    PDBbind121aa, >4A6S_1|Chains... at 100%
4ljhRCSB PDB    PDBbind122aa, >4LJH_1|Chains... at 100%
4lk6RCSB PDB    PDBbind121aa, >4LK6_1|Chains... at 100%
4lk7RCSB PDB    PDBbind121aa, >4LK7_1|Chains... at 100%
4lkdRCSB PDB    PDBbind121aa, >4LKD_1|Chains... at 100%
4lkeRCSB PDB    PDBbind121aa, >4LKE_1|Chains... at 100%
4lkfRCSB PDB    PDBbind121aa, >4LKF_1|Chains... at 100%
4yw7RCSB PDB    PDBbind121aa, >4YW7_1|Chains... at 100%
4ywaRCSB PDB    PDBbind121aa, >4YWA_1|Chains... at 100%
5d21RCSB PDB    PDBbind121aa, >5D21_1|Chains... at 100%
5mihRCSB PDB    PDBbind121aa, >5MIH_1|Chains... 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 ID4yw6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePA-I galactophilic lectin
Ligand NameG0P
EC.Number E.C.-.-.-.-
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=83nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acs Chem.Biol. Vol. 10: pp. 2455-2462
Ligand Properties
Formula C23H36N3O8
Molecular Weight 482.547
Exact Mass 482.250
No. of atoms 70
No. of bonds 72
Polar Surface Area 176.43
LOGP Value -0.78      (Computed with XLOGP3)
-1.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
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): Q05097  
Entrez Gene IDNCBI Entrez Gene ID: 882335  
ASDInformation of known allosteric effects of PDB entries
 
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