CRYSTAL STRUCTURE OF ENOYL-ACP REDUCTASE WITH TRICLOSAN AT 2.2ANGSTROMS
PDB id Source Resolution
1UH5 PLASMODIUM FALCIPARUM 2.2 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
TCL Valid submit data   launch gocavviewer-lite   289.542
C12 H7 Cl3 O2
 c1cc(c(cc1Cl)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

STRUCTURAL BASIS FOR THE VARIATION IN TRICLOSAN AFF ENOYL REDUCTASES. J.MOL.BIOL. V. 343 147 2004

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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