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Related entries of code: 3chg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2b4lRCSB PDB    PDBbind268aa, >2B4L:A|PDBID|CHAIN|... *
2b4mRCSB PDB    PDBbind268aa, >2B4M:B|PDBID|CHAIN|... at 100%
5nxxRCSB PDB    PDBbind268aa, >5NXX:D|PDBID|CHAIN|... 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 ID3chg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGlycine betaine-binding protein
Ligand Name313
EC.Number E.C.-.-.-.-
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Kd=102uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference(2008) J.Bacteriol. Vol. 190: pp. 5663-5671
Ligand Properties
Formula C4H9O2S
Molecular Weight 121.178
Exact Mass 121.032
No. of atoms 16
No. of bonds 15
Polar Surface Area 62.6
LOGP Value 1.37      (Computed with XLOGP3)
0.60      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): P46922  
Entrez Gene IDNCBI Entrez Gene ID: 938354  
ASDInformation of known allosteric effects of PDB entries

 
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