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Related entries of code: 4ydq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4q15RCSB PDB    PDBbind506aa, >4Q15_1|Chains... *
4wi1RCSB PDB    PDBbind506aa, >4WI1_1|Chains... at 100%
5ifuRCSB PDB    PDBbind506aa, >5IFU_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4q15RCSB PDB    PDBbindHFG
Entry Information
PDB ID4ydq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProlyl-tRNA Synthetase (PRS) from Plasmodium falciparum
Ligand NameHFG
EC.Number E.C.6.1.1.15
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd~300nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Structure Vol. 23: pp.1-11
Ligand Properties
Formula C16H18BrClN3O3
Molecular Weight 415.689
Exact Mass 414.022
No. of atoms 42
No. of bonds 44
Polar Surface Area 88.8
LOGP Value 1.40      (Computed with XLOGP3)
2.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
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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