Browse entries in the PDBbind-CN Database

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Related entries of code: 4xaq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4xasRCSB PDB    PDBbind503aa, >4XAS_1|Chains... at 97%
5cnjRCSB PDB    PDBbind503aa, >5CNJ_1|Chains... at 97%
5kzqRCSB PDB    PDBbind570aa, >5KZQ_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4xarRCSB PDB    PDBbind40F

Entry Information
PDB ID4xaq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMetabotropic glutamate receptor 2
Ligand Name40F
EC.Number E.C.-.-.-.-
Resolution 2.21(Å)
Affinity (Kd/Ki/IC50)Ki=71.7nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 1776-1794
Ligand Properties
Formula C8H12NO4
Molecular Weight 186.185
Exact Mass 186.077
No. of atoms 25
No. of bonds 26
Polar Surface Area 102.24
LOGP Value -1.15      (Computed with XLOGP3)
-1.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
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): Q14416  
Entrez Gene IDNCBI Entrez Gene ID: 2912  
ASDInformation of known allosteric effects of PDB entries

 
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