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Related entries of code: 4n7u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6j06RCSB PDB    PDBbind196aa, >6J06_1|Chains... at 100%
5zxkRCSB PDB    PDBbind196aa, >5ZXK_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4n7u
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameIntracellular B30.2 Domain of BTN3A1
Ligand Name2JA
EC.Number E.C.-.-.-.-
Resolution 1.46(Å)
Affinity (Kd/Ki/IC50)Kd=0.51uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Immunity Vol. 40: pp. 490-500
Ligand Properties
Formula C6H18O7P2
Molecular Weight 264.150
Exact Mass 264.053
No. of atoms 33
No. of bonds 32
Polar Surface Area 157.79
LOGP Value -2.12      (Computed with XLOGP3)
-0.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
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): O00481  
Entrez Gene IDNCBI Entrez Gene ID: 11119  
ASDInformation of known allosteric effects of PDB entries
 
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