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Related entries of code: 5k0t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4py2RCSB PDB    PDBbind536aa, >4PY2_1|Chains... *
5k0sRCSB PDB    PDBbind536aa, >5K0S_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4mw5RCSB PDB    PDBbind415

Entry Information
PDB ID5k0t
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemethionyl-tRNA synthetase MetRS from Brucella melitensis
Ligand Name415
EC.Number E.C.6.1.1.10
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=1.657uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Plos One Vol. 11: pp. e0160350-e0160350
Ligand Properties
Formula C18H23ClN3O2
Molecular Weight 348.847
Exact Mass 348.148
No. of atoms 47
No. of bonds 48
Polar Surface Area 66.97
LOGP Value 2.95      (Computed with XLOGP3)
3.09      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 5
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): P59078  
Entrez Gene IDNCBI Entrez Gene ID: 45052047  
ASDInformation of known allosteric effects of PDB entries

 
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