Browse entries in the PDBbind-CN Database

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Related entries of code: 4f39
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3dlnRCSB PDB    PDBbind278aa, >3DLN_1|Chain... *
3dp4RCSB PDB    PDBbind278aa, >3DP4_1|Chain... at 100%
3fasRCSB PDB    PDBbind260aa, >3FAS_1|Chains... at 90%
3fatRCSB PDB    PDBbind260aa, >3FAT_1|Chains... at 90%
3rt6RCSB PDB    PDBbind258aa, >3RT6_1|Chain... at 100%
3rt8RCSB PDB    PDBbind258aa, >3RT8_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ftkRCSB PDB    PDBbindKAI
1fw0RCSB PDB    PDBbindKAI
1p1nRCSB PDB    PDBbindKAI
1tt1RCSB PDB    PDBbindKAI
1xhyRCSB PDB    PDBbindKAI
2xxtRCSB PDB    PDBbindKAI
2xxyRCSB PDB    PDBbindKAI
3u92RCSB PDB    PDBbindKAI
4e0wRCSB PDB    PDBbindKAI
4e0xRCSB PDB    PDBbindKAI
5ikbRCSB PDB    PDBbindKAI
Entry Information
PDB ID4f39
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameligand binding domain of Rat GluA3
Ligand NameKAI
EC.Number E.C.-.-.-.-
Resolution 1.83(Å)
Affinity (Kd/Ki/IC50)Ki=1980nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2008) J. Med. Chem., Vol.51, pp.6614-6618
Ligand Properties
Formula C10H16NO4
Molecular Weight 214.238
Exact Mass 214.108
No. of atoms 31
No. of bonds 31
Polar Surface Area 91.21
LOGP Value 0.52      (Computed with XLOGP3)
0.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
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): P19492  
Entrez Gene IDNCBI Entrez Gene ID: 29628  
ASDInformation of known allosteric effects of PDB entries
 
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