Browse entries in the PDBbind-CN Database

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Related entries of code: 3r6u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5nxyRCSB PDB    PDBbind284aa, >5NXY_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1obaRCSB PDB    PDBbindCHT
2ha3RCSB PDB    PDBbindCHT
2regRCSB PDB    PDBbindCHT
3ppqRCSB PDB    PDBbindCHT
Entry Information
PDB ID3r6u
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameCholine-binding protein
Ligand NameCHT
EC.Number E.C.-.-.-.-
Resolution 1.61(Å)
Affinity (Kd/Ki/IC50)Kd=30.5uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J. Mol. Biol. Vol. 411: pp. 53-67
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): Q45462  
Entrez Gene IDNCBI Entrez Gene ID: 938475  
ASDInformation of known allosteric effects of PDB entries
 
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