A372M MUTANT OF ENOYL-ACP REDUCTASE FROM PLASMODIUM FALCIPAR IN COMPLEX WITH TRICLOSAN VARIANT T1
PDB id Source Resolution
3AM4 2.3 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
FT1 Valid ic50 =  97.0 nM   launch gocavviewer-lite   283.107
C13 H8 Cl2 O3
 c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl
NAD Valid submit data   launch gocavviewer-lite   663.425
C21 H27 N7 O14 P2
 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)O)O)O)O)C(=O)N

EFFECT OF SUBSTRATE BINDING LOOP MUTATIONS ON THE S KINETICS, AND INHIBITION OF ENOYL ACYL CARRIER PROT REDUCTASE FROM PLASMODIUM FALCIPARUM IUBMB LIFE V. 63 30 2011

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90% Homology Family

The Class containing this family consists of a total of 11 families.
Leader:    1V35
CRYSTAL STRUCTURE OF EOYL-ACP REDUCTASE WITH NADH
PDB id Binding data Representative ligand
1V35 Ki = 96.0 pM NAI
1UH5   TCL
1VRW   NAD
2O2Y Ki = 0.4 nM TCL
2OL4 ic50 = 440.0 nM JPN
2OOS ic50 = 76.0 nM JPJ
3AM3 Ki = 28.0 nM TCL
3AM4 ic50 = 97.0 nM FT1
3AM5 Ki = 38.0 nM TCL
3LT0 Ki = 0.18 uM FT1
3LT1 Ki = 0.32 uM FT2
3LT2 Ki = 0.38 uM FT3
3LT4 Ki = 0.1 uM FB4