Browse entries in the PDBbind-CN Database

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Related entries of code: 3kfc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6s5kRCSB PDB    PDBbind245aa, >6S5K_1|Chain... at 98%
1pq6RCSB PDB    PDBbind253aa, >1PQ6_1|Chains... at 97%
1pqcRCSB PDB    PDBbind253aa, >1PQC_1|Chains... at 97%
6s4uRCSB PDB    PDBbind245aa, >6S4U_1|Chains... at 98%
6s4tRCSB PDB    PDBbind245aa, >6S4T_1|Chain... at 98%
6s4nRCSB PDB    PDBbind245aa, >6S4N_1|Chains... at 98%
4rakRCSB PDB    PDBbind264aa, >4RAK_1|Chains... at 95%
5jy3RCSB PDB    PDBbind264aa, >5JY3_1|Chains... at 95%
6jioRCSB PDB    PDBbind274aa, >6JIO_1|Chains... 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 ID3kfc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameOxysterols receptor LXR-beta
Ligand Name61X
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=2.8nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 209-212
Ligand Properties
Formula C23H16F3NO3S
Molecular Weight 443.438
Exact Mass 443.080
No. of atoms 47
No. of bonds 50
Polar Surface Area 64.64
LOGP Value 5.47      (Computed with XLOGP3)
7.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
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): P55055  
Entrez Gene IDNCBI Entrez Gene ID: 7376  
ASDInformation of known allosteric effects of PDB entries

 
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