ENOYL-ACP REDUCTASE FROM PLASMODIUM FALCIPARUM (PFENR) IN CO TRICLOSAN VARIANT T3
PDB id Source Resolution
3LT2 2.5 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
FT3 Valid Ki =  0.38 uM   launch gocavviewer-lite   285.123
C13 H10 Cl2 O3
 c1cc(c(cc1CO)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

X-RAY CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEXES OF ACYL CARRIER PROTEIN REDUCTASE OF PLASMODIUM FALCIP WITH TRICLOSAN VARIANTS TO ELUCIDATE THE IMPORTANCE DIFFERENT FUNCTIONAL GROUPS IN ENZYME INHIBITION IUBMB LIFE V. 62 467 20

More Information
External References
PDB
Pubmed
Biounit Downloads
This PDB
This Family
This Class
Comma Separated Files
This PDB
This Family
This Class
Download BindingMOAD
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