Browse entries in the PDBbind-CN Database

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Related entries of code: 4k7i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4k7nRCSB PDB    PDBbind168aa, >4K7N_1|Chains... at 100%
4k7oRCSB PDB    PDBbind168aa, >4K7O_1|Chains... at 100%
4mmmRCSB PDB    PDBbind168aa, >4MMM_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3fw4RCSB PDB    PDBbindCAQ
4oowRCSB PDB    PDBbindCAQ
5kbiRCSB PDB    PDBbindCAQ
5swgRCSB PDB    PDBbindCAQ
Entry Information
PDB ID4k7i
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Peroxiredoxin-5
Ligand NameCAQ
EC.Number E.C.1.11.1.15
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)Kd=1500uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Plos One Vol. 9: pp. e102300-e102300
Ligand Properties
Formula C6H6O2
Molecular Weight 110.111
Exact Mass 110.037
No. of atoms 14
No. of bonds 14
Polar Surface Area 40.46
LOGP Value 1.21      (Computed with XLOGP3)
1.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
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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