Structure of PDB 2vwa Chain D Binding Site BS01

Receptor Information
>2vwa Chain D (length=99) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKINLNKPIIENKNNVDVSIKRYNNFVDIARLSIQKHFEHLSNDQKDSHV
NNMEYMQKFVQGLQENRNISLSKYQENKAVMDLKYHLQKVYANYLSQEE
Ligand information
Ligand IDPTY
InChIInChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
InChIKeyNJGIRBISCGPRPF-KXQOOQHDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCC)CO[P](O)(=O)OCCN
CACTVS 3.341CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@](O)(=O)OCCN
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
FormulaC40 H80 N O8 P
NamePHOSPHATIDYLETHANOLAMINE
ChEMBL
DrugBank
ZINCZINC000024540325
PDB chain2vwa Chain D Residue 1230 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vwa Crystal Structure of Soluble Domain of Malaria Sporozoite Protein Uis3 in Complex with Lipid.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Q164 E168 D211 Y214 K218 N222 Q226
Binding residue
(residue number reindexed from 1)		Q35 E39 D82 Y85 K89 N93 Q97
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links