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Related entries of code: 1nj5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nj1RCSB PDB    PDBbind501aa, >1NJ1_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 ID1nj5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameproline-trna synthetase
Ligand NameP5A
EC.Number E.C.6.1.1.15
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=50nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.USA v100 pp. 1673-8, 2003
Ligand Properties
Formula C15H22N7O7S
Molecular Weight 444.443
Exact Mass 444.130
No. of atoms 52
No. of bonds 55
Polar Surface Area 216.77
LOGP Value -2.72      (Computed with XLOGP3)
-0.25      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
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): O26708  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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