Related entries of code: 3dg8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3dgaRCSB PDB    PDBbind328aa, >3dga_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 ID3dg8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namebifunctional quadruple mutant of P. falciparum TS-DHFR
Ligand NameRJ6
EC.Number E.C.2.1.1.45
Resolution 2.58(Å)
Affinity (Kd/Ki/IC50)IC50=20uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference(2009) Acs Chem.Biol. Vol. 4: pp. 29-40
Ligand Properties
Formula C10H17N5O2
Molecular Weight 239.274
Exact Mass 239.138
No. of atoms 34
No. of bonds 34
Polar Surface Area 114.93
LOGP Value 4.47      (Computed with XLOGP3)
-1.62      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
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
UniProtKB ACUniProt accession number (AC): P13922  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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