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Related entries of code: 5zqu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3nsqRCSB PDB    PDBbind240aa, >3NSQ_1|Chains... at 100%
3pcuRCSB PDB    PDBbind230aa, >3PCU_1|Chain... at 100%
3r5mRCSB PDB    PDBbind240aa, >3R5M_1|Chains... at 100%
4n5gRCSB PDB    PDBbind244aa, >4N5G_1|Chains... at 98%
4n8rRCSB PDB    PDBbind244aa, >4N8R_1|Chains... at 98%
5mkjRCSB PDB    PDBbind230aa, >5MKJ_1|Chain... at 100%
5tbpRCSB PDB    PDBbind244aa, >5TBP_1|Chains... at 98%
6jnoRCSB PDB    PDBbind243aa, >6JNO_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5zqu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRetinoic acid receptor RXR-alpha
Ligand Name9HF
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Kd=7.0uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) FEBS Lett. Vol. 593: pp. 242-250
Ligand Properties
Formula C22H25N3O2
Molecular Weight 363.453
Exact Mass 363.195
No. of atoms 52
No. of bonds 55
Polar Surface Area 68.01
LOGP Value 6.88      (Computed with XLOGP3)
4.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
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): P19793  
Entrez Gene IDNCBI Entrez Gene ID: 6256  
ASDInformation of known allosteric effects of PDB entries
 
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