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Related entries of code: 4jfl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4drkRCSB PDB    PDBbind128aa, >4DRK_1|Chains... at 96%
4drmRCSB PDB    PDBbind128aa, >4DRM_1|Chain... at 96%
4drnRCSB PDB    PDBbind128aa, >4DRN_1|Chain... at 96%
4droRCSB PDB    PDBbind128aa, >4DRO_1|Chain... at 96%
4drpRCSB PDB    PDBbind128aa, >4DRP_1|Chain... at 96%
4jfiRCSB PDB    PDBbind127aa, >4JFI_1|Chain... at 96%
4jfjRCSB PDB    PDBbind128aa, >4JFJ_1|Chain... at 96%
4jfkRCSB PDB    PDBbind128aa, >4JFK_1|Chain... at 96%
4jfmRCSB PDB    PDBbind128aa, >4JFM_1|Chain... at 96%
4tw6RCSB PDB    PDBbind128aa, >4TW6_1|Chain... at 96%
4tw7RCSB PDB    PDBbind128aa, >4TW7_1|Chain... at 96%
4w9oRCSB PDB    PDBbind128aa, >4W9O_1|Chains... at 96%
4w9pRCSB PDB    PDBbind128aa, >4W9P_1|Chains... at 96%
4w9qRCSB PDB    PDBbind128aa, >4W9Q_1|Chain... at 96%
5ditRCSB PDB    PDBbind128aa, >5DIT_1|Chain... at 96%
5diuRCSB PDB    PDBbind128aa, >5DIU_1|Chain... at 96%
5divRCSB PDB    PDBbind127aa, >5DIV_1|Chain... at 96%
6safRCSB PDB    PDBbind128aa, >6SAF_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4jfl
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePeptidyl-prolyl cis-trans isomerase FKBP5 (A19T mutation)
Ligand Name1KY
EC.Number E.C.5.2.1.8
Resolution 1.2(Å)
Affinity (Kd/Ki/IC50)Kd=10.5uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 3922-3935
Ligand Properties
Formula C24H27N3O7S2
Molecular Weight 533.617
Exact Mass 533.129
No. of atoms 63
No. of bonds 67
Polar Surface Area 154.86
LOGP Value 2.68      (Computed with XLOGP3)
3.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
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): Q13451  
Entrez Gene IDNCBI Entrez Gene ID: 2289  
ASDInformation of known allosteric effects of PDB entries
 
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