ONE ACTIVE SITE, TWO MODES OF REDUCTION CORRELATE THE MECHANISM OF LEISHMANIA PTERIDINE REDUCTASE WITH PTERIN M ETABOLISM AND ANTIFOLATE DRUG RESISTANCE IN TRPANOSOMES
PDB id Source Resolution
1E7W LEISHMANIA MAJOR 1.75 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
MTX Valid submit data   launch gocavviewer-lite   454.439
C20 H22 N8 O5
 CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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
EDO Invalid            

PTERIDINE REDUCTASE MECHANISM CORRELATES PTERIN METABOLISM WITH DRUG RESISTANCE IN TRYPANOSOMATID PARASITES. NAT.STRUCT.BIOL. V. 8 521 2001

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90% Homology Family

The Class containing this family consists of a total of 2 families.
Leader:    3H4V
SELECTIVE SCREENING AND DESIGN TO IDENTIFY INHIBITORS
OF LEISHMANIA MAJOR PTERIDINE REDUCTASE 1
PDB id Binding data Representative ligand
3H4V Ki = 0.1 uM DVP
1E7W   MTX
1E92   NAP
2BF7   NAP