LEISHMANIA MAJOR PTERIDINE REDUCTASE 1 IN COMPLEX WITH NADP AND BIOPTERIN
PDB id Source Resolution
2BF7 2.4 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
EDO Invalid            
NAP Valid submit data   launch gocavviewer-lite   743.405
C21 H28 N7 O17 P3
 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
HBL Valid submit data   launch gocavviewer-lite   239.231
C9 H13 N5 O3
 C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O

STRUCTURES OF LEISHMANIA MAJOR PTERIDINE REDUCTASE COMPLEXES REVEAL THE ACTIVE SITE FEATURES IMPORTANT FOR LIGAND BINDING AND TO GUIDE INHIBITOR DESIGN J.MOL.BIOL. V. 352 105 2005

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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