Structure of PDB 2vwa Chain B Binding Site BS01

Receptor Information
>2vwa Chain B (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 A 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)		N130 K165
Binding residue
(residue number reindexed from 1)		N1 K36
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links