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Related entries of code: 6hb6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6i5yRCSB PDB    PDBbind424aa, >6I5Y_1|Chains... at 100%
6hb7RCSB PDB    PDBbind424aa, >6HB7_1|Chains... at 100%
6hb5RCSB PDB    PDBbind424aa, >6HB5_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6hb6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrRS
Ligand NameYSU
EC.Number E.C.-.-.-.-
Resolution 1.92(Å)
Affinity (Kd/Ki/IC50)Ki=43.4nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Eur.J.Med.Chem. Vol. 173: pp. 154-166
Ligand Properties
Formula C18H23N4O10S
Molecular Weight 487.461
Exact Mass 487.113
No. of atoms 56
No. of bonds 58
Polar Surface Area 233.27
LOGP Value -2.51      (Computed with XLOGP3)
-2.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
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): P0AGJ9  
Entrez Gene IDNCBI Entrez Gene ID: 61753194  948855  
ASDInformation of known allosteric effects of PDB entries

 
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