Related entries of code: 3dga
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3dg8RCSB PDB    PDBbind328aa, >3dg8_D... 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 ID3dga
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameWild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS)
Ligand NameRJ1
EC.Number E.C.2.1.1.45
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=29.9uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference(2009) Acs Chem.Biol. Vol. 4: pp. 29-40
Ligand Properties
Formula C9H11ClF3N5
Molecular Weight 281.665
Exact Mass 281.066
No. of atoms 29
No. of bonds 29
Polar Surface Area 96.47
LOGP Value 6.04      (Computed with XLOGP3)
0.04      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
ASDInformation of known allosteric effects of PDB entries

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