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Related entries of code: 1jij
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1jiiRCSB PDB    PDBbind420aa, >1JII_1|Chain... *
1jikRCSB PDB    PDBbind420aa, >1JIK_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 ID1jij
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametyrosyl-trna synthetase
Ligand Name629
EC.Number E.C.6.1.1.1
Resolution 3.2(Å)
Affinity (Kd/Ki/IC50)IC50=3nM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v10 pp. 2008-16, 2001
Ligand Properties
Formula C17H27N3O9
Molecular Weight 417.411
Exact Mass 417.175
No. of atoms 56
No. of bonds 57
Polar Surface Area 219.86
LOGP Value -3.73      (Computed with XLOGP3)
-3.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 13
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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