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Related entries of code: 5jek
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a3eRCSB PDB    PDBbind18-mer
1guwRCSB PDB    PDBbind18-mer
1l0aRCSB PDB    PDBbind18-mer
1n4mRCSB PDB    PDBbind18-mer
1o9kRCSB PDB    PDBbind18-mer
1ov3RCSB PDB    PDBbind18-mer
1pdqRCSB PDB    PDBbind18-mer
2df6RCSB PDB    PDBbind18-mer
2emtRCSB PDB    PDBbind18-mer
2h2dRCSB PDB    PDBbind18-mer
2kbrRCSB PDB    PDBbind18-mer
2knhRCSB PDB    PDBbind18-mer
2kzuRCSB PDB    PDBbind18-mer
2l8jRCSB PDB    PDBbind18-mer
2lp8RCSB PDB    PDBbind18-mer
2rvnRCSB PDB    PDBbind18-mer
2vpgRCSB PDB    PDBbind18-mer
2xs8RCSB PDB    PDBbind18-mer
2y9qRCSB PDB    PDBbind18-mer
3c3qRCSB PDB    PDBbind18-mer
3cfvRCSB PDB    PDBbind18-mer
3iswRCSB PDB    PDBbind18-mer
3iuxRCSB PDB    PDBbind18-mer
3kl8RCSB PDB    PDBbind18-mer
3l6xRCSB PDB    PDBbind18-mer
3pdhRCSB PDB    PDBbind18-mer
3rtxRCSB PDB    PDBbind18-mer
3uatRCSB PDB    PDBbind18-mer
3v31RCSB PDB    PDBbind18-mer
3v43RCSB PDB    PDBbind18-mer
4aomRCSB PDB    PDBbind18-mer
4ejfRCSB PDB    PDBbind18-mer
4glrRCSB PDB    PDBbind18-mer
4jk5RCSB PDB    PDBbind18-mer
4jk6RCSB PDB    PDBbind18-mer
4mzlRCSB PDB    PDBbind18-mer
4pn1RCSB PDB    PDBbind18-mer
4pz8RCSB PDB    PDBbind18-mer
4risRCSB PDB    PDBbind18-mer
4rqiRCSB PDB    PDBbind18-mer
4wrqRCSB PDB    PDBbind18-mer
4xh2RCSB PDB    PDBbind18-mer
5b4wRCSB PDB    PDBbind18-mer
5e2vRCSB PDB    PDBbind18-mer
5e2wRCSB PDB    PDBbind18-mer
5mk1RCSB PDB    PDBbind18-mer
5mk3RCSB PDB    PDBbind18-mer
5odsRCSB PDB    PDBbind18-mer
5sveRCSB PDB    PDBbind18-mer
5t90RCSB PDB    PDBbind18-mer
5uwiRCSB PDB    PDBbind18-mer
5v3rRCSB PDB    PDBbind18-mer
5wa1RCSB PDB    PDBbind18-mer
5xyfRCSB PDB    PDBbind18-mer
5yc2RCSB PDB    PDBbind18-mer
5yv5RCSB PDB    PDBbind18-mer
6bhdRCSB PDB    PDBbind18-mer
6bheRCSB PDB    PDBbind18-mer
6bhhRCSB PDB    PDBbind18-mer
6h41RCSB PDB    PDBbind18-mer
6jjzRCSB PDB    PDBbind18-mer
6iqgRCSB PDB    PDBbind18-mer
6esaRCSB PDB    PDBbind18-mer
6erwRCSB PDB    PDBbind18-mer
6ervRCSB PDB    PDBbind18-mer
6eruRCSB PDB    PDBbind18-mer
6em7RCSB PDB    PDBbind18-mer
6em6RCSB PDB    PDBbind18-mer
6eh2RCSB PDB    PDBbind18-mer
6egwRCSB PDB    PDBbind18-mer
5y53RCSB PDB    PDBbind18-mer
5szcRCSB PDB    PDBbind18-mer
5szbRCSB PDB    PDBbind18-mer
5ousRCSB PDB    PDBbind18-mer
5ouaRCSB PDB    PDBbind18-mer
5ol3RCSB PDB    PDBbind18-mer
5ok3RCSB PDB    PDBbind18-mer
5o0eRCSB PDB    PDBbind18-mer
5nw8RCSB PDB    PDBbind18-mer
6emaRCSB PDB    PDBbind18-mer
6senRCSB PDB    PDBbind18-mer
6seoRCSB PDB    PDBbind18-mer

Entry Information
PDB ID5jek
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInterferon regulatory factor 3, IRF-3
Ligand Name18-mer
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=104uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Proc.Natl.Acad.Sci.USA Vol. 113: pp. E3403-E3412
Ligand Properties
Formula C57H93N14O27PS
Molecular Weight 1469.460
Exact Mass 1468.580
No. of atoms 193
No. of bonds 193
Polar Surface Area 721.07
LOGP Value -6.23      (Computed with XLOGP3)
-5.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 26
No. of Rotatable Bonds: 60
No. of Nitrogen and Oxygen Atoms: 41
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): Q7Z434  Q14653  
Entrez Gene IDNCBI Entrez Gene ID: 57506  3661  
ASDInformation of known allosteric effects of PDB entries

 
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