Browse entries in the PDBbind-CN Database

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Related entries of code: 2reg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2rinRCSB PDB    PDBbind298aa, >2RIN_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1obaRCSB PDB    PDBbindCHT
2ha3RCSB PDB    PDBbindCHT
3ppqRCSB PDB    PDBbindCHT
3r6uRCSB PDB    PDBbindCHT

Entry Information
PDB ID2reg
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePutative Glycine Betaine-Binding ABC Transporter Protein(ChoX)
Ligand NameCHT
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=2.3uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J.Biol.Chem. Vol. 283: pp. 32848-32859
Ligand Properties
Formula C5H14NO
Molecular Weight 104.171
Exact Mass 104.108
No. of atoms 21
No. of bonds 20
Polar Surface Area 20.23
LOGP Value -0.40      (Computed with XLOGP3)
-0.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
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): Q92N37  
Entrez Gene IDNCBI Entrez Gene ID: 61603858  
ASDInformation of known allosteric effects of PDB entries

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