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Related entries of code: 4k7o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4k7iRCSB PDB    PDBbind168aa, >4K7I_1|Chains... *
4k7nRCSB PDB    PDBbind168aa, >4K7N_1|Chains... at 100%
4mmmRCSB PDB    PDBbind168aa, >4MMM_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4k7o
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Peroxiredoxin-5
Ligand NameEKZ
EC.Number E.C.1.11.1.15
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)Kd=50uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Plos One Vol. 9: pp. e102300-e102300
Ligand Properties
Formula C10H14O2
Molecular Weight 166.217
Exact Mass 166.099
No. of atoms 26
No. of bonds 26
Polar Surface Area 40.46
LOGP Value 2.88      (Computed with XLOGP3)
2.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
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): P30044  
Entrez Gene IDNCBI Entrez Gene ID: 25824  
ASDInformation of known allosteric effects of PDB entries
 
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