Browse entries in the PDBbind-CN Database

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Related entries of code: 6q8b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6q8cRCSB PDB    PDBbind877aa, >6Q8C_1|Chain... at 100%
6q8aRCSB PDB    PDBbind877aa, >6Q8A_1|Chain... at 100%
6q89RCSB PDB    PDBbind877aa, >6Q89_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 ID6q8b
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLeuRS
Ligand NameL3U
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=29.5nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Eur.J.Med.Chem. Vol. 173: pp. 154-166
Ligand Properties
Formula C16H27N4O9S
Molecular Weight 451.472
Exact Mass 451.150
No. of atoms 57
No. of bonds 58
Polar Surface Area 202.18
LOGP Value -2.24      (Computed with XLOGP3)
-2.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 2
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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