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Related entries of code: 1jik
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jiiRCSB PDB    PDBbind420aa, >1JII_1|Chain... *
1jijRCSB PDB    PDBbind420aa, >1JIJ_1|Chain... at 100%
1jilRCSB PDB    PDBbind420aa, >1JIL_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1jik
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametyrosyl-trna synthetase
Ligand Name545
EC.Number E.C.6.1.1.1
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.2nM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v10 pp. 2008-16, 2001
Ligand Properties
Formula C21H35N3O9
Molecular Weight 473.517
Exact Mass 473.237
No. of atoms 68
No. of bonds 69
Polar Surface Area 208.86
LOGP Value -0.76      (Computed with XLOGP3)
-2.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 12
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 ACUniProt accession number (AC): A6QHR2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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