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Related entries of code: 4jkw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4f9lRCSB PDB    PDBbind220aa, >4F9L_1|Chains... *
4f9pRCSB PDB    PDBbind220aa, >4F9P_1|Chains... at 100%
4k55RCSB PDB    PDBbind124aa, >4K55_1|Chain... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1x07RCSB PDB    PDBbindIPE
Entry Information
PDB ID4jkw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameButyrophilin subfamily 3 member A1 (A30S mutationi)
Ligand NameIPE
EC.Number E.C.-.-.-.-
Resolution 2.01(Å)
Affinity (Kd/Ki/IC50)Kd=69.9uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Nat.Immunol. Vol. 14: pp. 908-916
Ligand Properties
Formula C5H14O7P2
Molecular Weight 248.108
Exact Mass 248.021
No. of atoms 28
No. of bonds 27
Polar Surface Area 146.79
LOGP Value -1.16      (Computed with XLOGP3)
0.30      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
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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