Structure of PDB 7ew7 Chain D Binding Site BS01

Receptor Information
>7ew7 Chain D (length=286) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDIIVRHYNYTGKLKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMY
YFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSAS
VFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMG
WNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTR
SRRLTFRKSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDI
LFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRI
Ligand information
Ligand IDJEX
InChIInChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
InChIKeyOYMNPJXKQVTQTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1cccc(c1)c2noc(n2)c3sc(c(c3)c4ccccc4)C(F)(F)F
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F
FormulaC20 H10 F6 N2 O S
Name5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
ChEMBLCHEMBL224720
DrugBank
ZINCZINC000002141876
PDB chain7ew7 Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ew7 Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Resolution3.27 Å
Binding residue
(original residue number in PDB)		N101 E121 F125 L128 S129 L195 W269 L276
Binding residue
(residue number reindexed from 1)		N70 E90 F94 L97 S98 L164 W230 L237
Annotation score1
Enzymatic activity
Enzyme Commision number ?
3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004930 G protein-coupled receptor activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0038036 sphingosine-1-phosphate receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis
Cellular Component
GO:0016020 membrane
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ew7, PDBe:7ew7, PDBj:7ew7
PDBsum7ew7
PubMed34526663
UniProtD9IEF7;
P21453|S1PR1_HUMAN Sphingosine 1-phosphate receptor 1 (Gene Name=S1PR1)

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