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Related entries of code: 2oz5
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2oz5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhosphotyrosine protein phosphatase ptpb
Ligand Name7XY
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=0.33uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Structure Vol. 15: pp. 499-509
Ligand Properties
Formula C29H27ClN2O5S2
Molecular Weight 583.118
Exact Mass 582.105
No. of atoms 66
No. of bonds 69
Polar Surface Area 140.4
LOGP Value 6.73      (Computed with XLOGP3)
6.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): I6WXK4  P96830  
Entrez Gene IDNCBI Entrez Gene ID: 886842  
ASDInformation of known allosteric effects of PDB entries

 
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