QUADRUPLE MUTANT (N51I+C59R+S108N+I164L) PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE ( PFDHFR-TS) COMPLEXED WITH WR99210, NADPH, AND DUMP
PDB id Source Resolution
1J3K PLASMODIUM FALCIPARUM 2.1 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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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
WRA Valid Ki =  0.037 nM   launch gocavviewer-lite   394.684
C14 H18 Cl3 N5 O2
 CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C

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