Browse entries in the PDBbind-CN Database

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Related entries of code: 4e93
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6jmfRCSB PDB    PDBbind375aa, >6JMF_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2xb7RCSB PDB    PDBbindGUI
5jznRCSB PDB    PDBbindGUI
Entry Information
PDB ID4e93
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase Fes/Fps
Ligand NameGUI
EC.Number E.C.2.7.10.2
Resolution 1.84(Å)
Affinity (Kd/Ki/IC50)IC50=118nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chem.Biol. Vol. 19: pp. 529-540
Ligand Properties
Formula C30H42ClN7O3S
Molecular Weight 616.218
Exact Mass 615.276
No. of atoms 84
No. of bonds 88
Polar Surface Area 113.71
LOGP Value 5.67      (Computed with XLOGP3)
6.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
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): P07332  
Entrez Gene IDNCBI Entrez Gene ID: 2242  
ASDInformation of known allosteric effects of PDB entries
 
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