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Related entries of code: 4ge2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ge5RCSB PDB    PDBbind314aa, >4GE5_1|Chains... at 100%
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 ID4ge2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein phosphatase non-receptor type 9
Ligand Name75A
EC.Number E.C.3.1.3.48
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.90uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Am.Chem.Soc. Vol. 134: pp. 18116-18124
Ligand Properties
Formula C24H29F2IN4O7P
Molecular Weight 681.385
Exact Mass 681.079
No. of atoms 68
No. of bonds 69
Polar Surface Area 204.67
LOGP Value 0.74      (Computed with XLOGP3)
3.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
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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