Structure of PDB 2foi Chain D Binding Site BS01

Receptor Information
>2foi Chain D (length=60) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YTFIDYAIEYSEKYAPLRQKLLSTDIGSVASFLLSRESRAITGQTIYVDN
GLNIMFLPDD
Ligand information
Ligand IDJPA
InChIInChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3
InChIKeyVDWAWADVXJMBAA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
CACTVS 3.341Cc1ccccc1c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2
ACDLabs 10.04Clc3cc(Cl)ccc3Oc2ccc(c1ccccc1C)cc2O
FormulaC19 H14 Cl2 O2
Name4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL
ChEMBLCHEMBL261708
DrugBank
ZINCZINC000016052044
PDB chain2foi Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2foi X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F368 A372
Binding residue
(residue number reindexed from 1)		F3 A7
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.9: enoyl-[acyl-carrier-protein] reductase (NADH).
Gene Ontology
Molecular Function
GO:0004318 enoyl-[acyl-carrier-protein] reductase (NADH) activity
Biological Process
GO:0006633 fatty acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2foi, PDBe:2foi, PDBj:2foi
PDBsum2foi
PubMed17567585
UniProtC6KSZ2

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