9WP9

Cryo-EM structure of the d18:1 S1P-bound S1PR3 and Gq complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Engineered G-alpha-q	polymer	242	27680.4	1		Homo sapiens
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	358	39418.1	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
3	C (C)	scFv16	polymer	259	27784.9	1		Homo sapiens
4	D (G)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631)	Homo sapiens (human)	G gamma-I
5	E (N)	Nb35	polymer	129	14016.6	1		Homo sapiens
6	F (R)	Sphingosine 1-phosphate receptor 3	polymer	342	38829.1	1	UniProt (Q99500) Pfam (PF00001)	Homo sapiens (human)	S1P receptor 3,S1P3,Endothelial differentiation G-protein coupled receptor 3,Sphingosine 1-phosphate receptor Edg-3,S1P receptor Edg-3
7	G (R)	(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate	non-polymer		379.5	1	Chemie (S1P)

Sequence modifications

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	initiating methionine
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

R: 2 - 315 (UniProt: Q99500)

PDB	External Database	Details
Asp -26	-	expression tag
Tyr -25	-	expression tag
Lys -24	-	expression tag
Asp -23	-	expression tag
Asp -22	-	expression tag
Asp -21	-	expression tag
Asp -20	-	expression tag
Lys -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
Leu -6	-	expression tag
Glu -5	-	expression tag
Val -4	-	expression tag
Leu -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Pro 1	-	expression tag
Gln 15	Asn 15	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	155590.3
Non-Polymers*	Number of molecules	1
	Total formula weight	379.5
All*	Total formula weight	155969.8

*Water molecules are not included.