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Related entries of code: 2qw1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gcaRCSB PDB    PDBbind309aa, >1GCA_1|Chain... *
3ga5RCSB PDB    PDBbind309aa, >3GA5_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 ID2qw1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameEscherichia coli PBP glucose/galactose-binding protein (GGBP)
Ligand Name3MG
EC.Number E.C.-.-.-.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=125uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Acs Chem.Biol. Vol. 4: pp. 447-456
Ligand Properties
Formula C7H14O6
Molecular Weight 194.182
Exact Mass 194.079
No. of atoms 27
No. of bonds 27
Polar Surface Area 99.38
LOGP Value -2.05      (Computed with XLOGP3)
-2.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
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): P0AEE5  
Entrez Gene IDNCBI Entrez Gene ID: 61754456  949041  
ASDInformation of known allosteric effects of PDB entries

 
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