Browse entries in the PDBbind-CN Database

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Related entries of code: 5kej
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5g5fRCSB PDB    PDBbind229aa, >5G5F_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ydkRCSB PDB    PDBbindGTX
2c80RCSB PDB    PDBbindGTX
2j9hRCSB PDB    PDBbindGTX

Entry Information
PDB ID5kej
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglutathione S-transferase Tau class
Ligand NameGTX
EC.Number E.C.-.-.-.-
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)Kd=7.8uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Biochimie Vol. 135: pp. 35-45
Ligand Properties
Formula C16H30N3O6S
Molecular Weight 392.491
Exact Mass 392.186
No. of atoms 56
No. of bonds 55
Polar Surface Area 185.74
LOGP Value -0.03      (Computed with XLOGP3)
0.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
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): A0A1P8NWC2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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