Browse entries in the PDBbind-CN Database

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Related entries of code: 6hcw
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
6hcuRCSB PDB    PDBbindFYB

Entry Information
PDB ID6hcw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLysine--tRNA ligase
Ligand NameFYB
EC.Number E.C.6.1.1.6
Resolution 1.46(Å)
Affinity (Kd/Ki/IC50)IC50=0.13uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Proc.Natl.Acad.Sci.USA Vol. 116: pp. 7015-7020
Ligand Properties
Formula C17H16F3NO4
Molecular Weight 355.308
Exact Mass 355.103
No. of atoms 41
No. of bonds 43
Polar Surface Area 79.54
LOGP Value 2.21      (Computed with XLOGP3)
2.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): Q5CR27  
Entrez Gene IDNCBI Entrez Gene ID: 3372887  
ASDInformation of known allosteric effects of PDB entries

 
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