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Related entries of code: 4aml
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2x3tRCSB PDB    PDBbind171aa, >2X3T_1|Chains... *
2x52RCSB PDB    PDBbind171aa, >2X52_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4aml
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameWHEAT GERM AGGLUTININ ISOLECTIN 1
Ligand NameGYU
EC.Number E.C.-.-.-.-
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)IC50=8mM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Am.Chem.Soc. Vol. 132: pp. 8704-8719
Ligand Properties
Formula C12H22N2O7
Molecular Weight 306.312
Exact Mass 306.143
No. of atoms 43
No. of bonds 43
Polar Surface Area 137.35
LOGP Value -1.29      (Computed with XLOGP3)
-1.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
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): P10968  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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