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Related entries of code: 5xig
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5xihRCSB PDB    PDBbind500aa, >5XIH_1|Chains... at 100%
5xiiRCSB PDB    PDBbind500aa, >5XII_1|Chains... at 100%
5xijRCSB PDB    PDBbind500aa, >5XIJ_1|Chains... 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 ID5xig
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasmodium falciparum prolyl-tRNA synthetase
Ligand Name87F
EC.Number E.C.-.-.-.-
Resolution 2.41(Å)
Affinity (Kd/Ki/IC50)IC50=420nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Structure Vol. 25: pp. 1495-1505.e6
Ligand Properties
Formula C16H20N3O2
Molecular Weight 286.349
Exact Mass 286.156
No. of atoms 41
No. of bonds 43
Polar Surface Area 68.57
LOGP Value 1.12      (Computed with XLOGP3)
2.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): S8G8I1  
Entrez Gene IDNCBI Entrez Gene ID: 7896830  
ASDInformation of known allosteric effects of PDB entries

 
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