DOUBLE MUTANT (C59R+S108N) PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) C OMPLEXED WITH PYRIMETHAMINE, NADPH, AND DUMP
PDB id Source Resolution
1J3J PLASMODIUM FALCIPARUM 2.3 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
NDP Valid submit data   launch gocavviewer-lite   745.421
C21 H30 N7 O17 P3
 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
UMP Valid submit data   launch gocavviewer-lite   308.182
C9 H13 N2 O8 P
 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
CP6 Valid Ki =  9.8 nM   launch gocavviewer-lite   248.711
C12 H13 Cl N4
 CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl

INSIGHTS INTO ANTIFOLATE RESISTANCE FROM MALARIAL DHFR-TS STRUCTURES. NAT.STRUCT.BIOL. V. 10 357 2003

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90% Homology Family

The Class containing this family consists of a total of 22 families.
Leader:    1J3I
WILD-TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE
REDUCTASE- THYMIDYLATE SYNTHASE (PFDHFR-TS)
COMPLEXED WITH WR99210, N ADPH, AND DUMP
PDB id Binding data Representative ligand
1J3I Ki = 0.011 nM WRA
1J3J Ki = 9.8 nM CP6
1J3K Ki = 0.037 nM WRA