Browse entries in the PDBbind-CN Database

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Related entries of code: 4gk2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4g2fRCSB PDB    PDBbind361aa, >4G2F_1|Chain... *
4gk3RCSB PDB    PDBbind361aa, >4GK3_1|Chain... at 100%
4gk4RCSB PDB    PDBbind361aa, >4GK4_1|Chain... at 100%
4p5zRCSB PDB    PDBbind361aa, >4P5Z_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ia2RCSB PDB    PDBbindL66
Entry Information
PDB ID4gk2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEPH receptor A3
Ligand NameL66
EC.Number E.C.2.7.10.1
Resolution 2.19(Å)
Affinity (Kd/Ki/IC50)IC50=1.6nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 84-96
Ligand Properties
Formula C22H20N5O4
Molecular Weight 418.425
Exact Mass 418.152
No. of atoms 51
No. of bonds 55
Polar Surface Area 109.45
LOGP Value 3.78      (Computed with XLOGP3)
2.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
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): P29320  
Entrez Gene IDNCBI Entrez Gene ID: 2042  
ASDInformation of known allosteric effects of PDB entries
 
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