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Related entries of code: 5q17
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1osvRCSB PDB    PDBbind12aa, >1OSV_2|Chains... at 100%
1p93RCSB PDB    PDBbind12aa, >1P93_2|Chains... at 100%
1t63RCSB PDB    PDBbind14aa, >1T63_2|Chain... at 100%
2ao6RCSB PDB    PDBbind25aa, >2AO6_2|Chain... *
3k22RCSB PDB    PDBbind12aa, >3K22_2|Chains... at 100%
3k23RCSB PDB    PDBbind12aa, >3K23_2|Chains... at 100%
3l0eRCSB PDB    PDBbind12aa, >3L0E_2|Chain... at 100%
4csjRCSB PDB    PDBbind13aa, >4CSJ_2|Chain... at 100%
4p6wRCSB PDB    PDBbind12aa, >4P6W_2|Chain... at 91%
4p6xRCSB PDB    PDBbind14aa, >4P6X_2|Chains... at 100%
5h1eRCSB PDB    PDBbind13aa, >5H1E_2|Chain... at 100%
5ickRCSB PDB    PDBbind11aa, >5ICK_2|Chains... at 100%
5xplRCSB PDB    PDBbind13aa, >5XPL_2|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 ID5q17
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBile acid receptor
Ligand Name9MV
EC.Number E.C.2.3.1.48
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=5.64uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Comput. Aided Mol. Des. Vol. : pp. -
Ligand Properties
Formula C24H21BrN2O5S2
Molecular Weight 561.468
Exact Mass 560.008
No. of atoms 55
No. of bonds 59
Polar Surface Area 131.61
LOGP Value 4.95      (Computed with XLOGP3)
5.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): Q96RI1  Q15596  
Entrez Gene IDNCBI Entrez Gene ID: 9971  10499  
ASDInformation of known allosteric effects of PDB entries
 
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