Browse entries in the PDBbind-CN Database

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Related entries of code: 3nq9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gx8RCSB PDB    PDBbind162aa, >1GX8_1|Chain... *
2gj5RCSB PDB    PDBbind162aa, >2GJ5_1|Chain... at 100%
2r56RCSB PDB    PDBbind162aa, >2R56_1|Chains... at 100%
3nq3RCSB PDB    PDBbind162aa, >3NQ3_1|Chain... at 100%
3ueuRCSB PDB    PDBbind162aa, >3UEU_1|Chain... at 100%
3uevRCSB PDB    PDBbind162aa, >3UEV_1|Chain... at 100%
3uewRCSB PDB    PDBbind162aa, >3UEW_1|Chain... at 100%
3uexRCSB PDB    PDBbind162aa, >3UEX_1|Chain... at 100%
4gnyRCSB PDB    PDBbind162aa, >4GNY_1|Chain... at 100%
4kiiRCSB PDB    PDBbind162aa, >4KII_1|Chain... at 98%
6ge7RCSB PDB    PDBbind162aa, >6GE7_1|Chain... at 100%
6gf9RCSB PDB    PDBbind162aa, >6GF9_1|Chain... at 100%
6gfsRCSB PDB    PDBbind162aa, >6GFS_1|Chain... at 100%
6ghhRCSB PDB    PDBbind162aa, >6GHH_1|Chain... at 100%
6qi7RCSB PDB    PDBbind162aa, >6QI7_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3nq9
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBovine beta-lactoglobulin
Ligand NameOCA
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=92.6uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Mol.Recognit. Vol. 24: pp. 341-349
Ligand Properties
Formula C8H16O2
Molecular Weight 144.211
Exact Mass 144.115
No. of atoms 26
No. of bonds 25
Polar Surface Area 37.3
LOGP Value 4.23      (Computed with XLOGP3)
2.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
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): P02754  
Entrez Gene IDNCBI Entrez Gene ID: 280838  
ASDInformation of known allosteric effects of PDB entries
 
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