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Related entries of code: 4q15
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wi1RCSB PDB    PDBbind506aa, >4WI1_1|Chains... at 100%
4ydqRCSB PDB    PDBbind497aa, >4YDQ_1|Chains... at 99%
5ifuRCSB PDB    PDBbind506aa, >5IFU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4ydqRCSB PDB    PDBbindHFG
Entry Information
PDB ID4q15
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProlyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum
Ligand NameHFG
EC.Number E.C.6.1.1.15
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)IC50=11nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Infect Dis. Vol(3). : pp. 34-44
Ligand Properties
Formula C16H19BrClN3O3
Molecular Weight 416.697
Exact Mass 415.030
No. of atoms 43
No. of bonds 45
Polar Surface Area 91.7
LOGP Value 1.23      (Computed with XLOGP3)
2.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): Q8I5R7  
Entrez Gene IDNCBI Entrez Gene ID: 811187  
ASDInformation of known allosteric effects of PDB entries
 
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