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Related entries of code: 3e9h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3e9iRCSB PDB    PDBbind493aa, >3E9I_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3a5yRCSB PDB    PDBbindKAA

Entry Information
PDB ID3e9h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLysyl-tRNA synthetase from Bacillus stearothermophilus
Ligand NameKAA
EC.Number E.C.6.1.1.6
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=28nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Biochem. Vol. 145: pp. 555-563
Ligand Properties
Formula C16H28N8O7S
Molecular Weight 476.508
Exact Mass 476.180
No. of atoms 60
No. of bonds 62
Polar Surface Area 255.44
LOGP Value -3.59      (Computed with XLOGP3)
-2.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 15
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): Q9RHV9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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