Browse entries in the PDBbind-CN Database

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Related entries of code: 4ge5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ge2RCSB PDB    PDBbind314aa, >4GE2_1|Chains... *
4ge6RCSB PDB    PDBbind314aa, >4GE6_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 ID4ge5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein phosphatase non-receptor type 9
Ligand NameA89
EC.Number E.C.3.1.3.48
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=0.27uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Am.Chem.Soc. Vol. 134: pp. 18116-18124
Ligand Properties
Formula C30H32BrF2IN4O7P
Molecular Weight 836.377
Exact Mass 835.020
No. of atoms 78
No. of bonds 80
Polar Surface Area 204.67
LOGP Value 3.46      (Computed with XLOGP3)
5.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
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): P43378  
Entrez Gene IDNCBI Entrez Gene ID: 5780  
ASDInformation of known allosteric effects of PDB entries
 
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