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Related entries of code: 5mkj
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%
5tbpRCSB PDB    PDBbind244aa, >5TBP_1|Chains... at 98%
6jnoRCSB PDB    PDBbind243aa, >6JNO_1|Chains... at 98%
5zquRCSB PDB    PDBbind243aa, >5ZQU_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 ID5mkj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRetinoic acid receptor RXR-alpha
Ligand Name4CU
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=48.5uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) ACS Chem Neurosci Vol. 8: pp. 2065-2077
Ligand Properties
Formula C21H22O4
Molecular Weight 338.397
Exact Mass 338.152
No. of atoms 47
No. of bonds 48
Polar Surface Area 66.76
LOGP Value 6.38      (Computed with XLOGP3)
4.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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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