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Related entries of code: 5i59
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2a5sRCSB PDB    PDBbind284aa, >2A5S_1|Chain... *
5dexRCSB PDB    PDBbind283aa, >5DEX_2|Chain... at 99%
5i56RCSB PDB    PDBbind281aa, >5I56_2|Chain... at 99%
5i58RCSB PDB    PDBbind281aa, >5I58_2|Chain... at 99%
5u8cRCSB PDB    PDBbind283aa, >5U8C_2|Chain... at 99%
5vihRCSB PDB    PDBbind283aa, >5VIH_2|Chain... at 99%
5viiRCSB PDB    PDBbind283aa, >5VII_2|Chain... at 99%
5vijRCSB PDB    PDBbind283aa, >5VIJ_2|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5i59
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameglycine/glutamate-bound GluN1/2A LBD
Ligand Name67Q
EC.Number E.C.-.-.-.-
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=112nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Neuron Vol. 91: pp. 1316-1329
Ligand Properties
Formula C18H17F2N5O3S2
Molecular Weight 453.486
Exact Mass 453.074
No. of atoms 47
No. of bonds 49
Polar Surface Area 150.56
LOGP Value 1.45      (Computed with XLOGP3)
4.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
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): P35439  Q00959  
Entrez Gene IDNCBI Entrez Gene ID: 24408  24409  
ASDInformation of known allosteric effects of PDB entries

 
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