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Related entries of code: 1jil
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%
1jikRCSB PDB    PDBbind420aa, >1JIK_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 ID1jil
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nametyrosyl-trna synthetase
Ligand Name485
EC.Number E.C.6.1.1.1
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=4nM
Release Year2001
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v10 pp. 2008-16, 2001
Ligand Properties
Formula C17H25N2O8
Molecular Weight 385.389
Exact Mass 385.161
No. of atoms 52
No. of bonds 53
Polar Surface Area 184.19
LOGP Value -2.68      (Computed with XLOGP3)
-2.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
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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