Browse entries in the PDBbind-CN Database

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Related entries of code: 4jfi
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%
4jfjRCSB PDB    PDBbind128aa, >4JFJ_1|Chain... at 96%
4jfkRCSB PDB    PDBbind128aa, >4JFK_1|Chain... at 96%
4jflRCSB PDB    PDBbind128aa, >4JFL_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 ID4jfi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePeptidyl-prolyl cis-trans isomerase FKBP5 (A19T mutation)
Ligand Name1KT
EC.Number E.C.5.2.1.8
Resolution 1.05(Å)
Affinity (Kd/Ki/IC50)Ki=18.1uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 3922-3935
Ligand Properties
Formula C28H32N2O8
Molecular Weight 524.562
Exact Mass 524.216
No. of atoms 70
No. of bonds 74
Polar Surface Area 103.84
LOGP Value 2.93      (Computed with XLOGP3)
2.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
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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