9VNZ

Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with HY-X-1011

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	357	39286.9	1	UniProt (P62873)	Homo sapiens (human)	Transducin beta chain 1
2	B (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768)	Homo sapiens (human)	G gamma-I
3	C (D)	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40415.0	1	UniProt (P63096)	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
4	D (E)	scFv16	polymer	251	26679.7	1		Mus musculus
5	E (F)	Soluble cytochrome b562,Sphingosine 1-phosphate receptor 1	polymer	534	60092.1	1	UniProt (P0ABE7) UniProt (P21453)	Escherichia coli	Cytochrome b-562,S1P receptor 1,S1P1,Endothelial differentiation G-protein coupled receptor 1,Sphingosine 1-phosphate receptor Edg-1,S1P receptor Edg-1
6	F (F)	[(2~{S})-2-azanyl-2-[[4-[5-[4-cyclohexyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-phenyl]methyl]-3-oxidanyl-propyl] dihydrogen phosphate	non-polymer		573.5	1	Chemie (A1ESY)

Sequence modifications

A: 1 - 339 (UniProt: P62873)

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

F: -105 - 0 (UniProt: P0ABE7)

PDB	External Database	Details
Met -139	-	initiating methionine
Lys -138	-	expression tag
Thr -137	-	expression tag
Ile -136	-	expression tag
Ile -135	-	expression tag
Ala -134	-	expression tag
Leu -133	-	expression tag
Ser -132	-	expression tag
Tyr -131	-	expression tag
Ile -130	-	expression tag
Phe -129	-	expression tag
Cys -128	-	expression tag
Leu -127	-	expression tag
Val -126	-	expression tag
Phe -125	-	expression tag
Ala -124	-	expression tag
Asp -123	-	expression tag
Tyr -122	-	expression tag
Lys -121	-	expression tag
Asp -120	-	expression tag
Asp -119	-	expression tag
Asp -118	-	expression tag
Asp -117	-	expression tag
Lys -116	-	expression tag
Leu -115	-	expression tag
Glu -114	-	expression tag
Val -113	-	expression tag
Leu -112	-	expression tag
Phe -111	-	expression tag
Gln -110	-	expression tag
Gly -109	-	expression tag
Pro -108	-	expression tag
Gly -107	-	expression tag
Ser -106	-	expression tag
Trp -99	Met 29	conflict
Ile -4	His 124	conflict
Leu 0	Arg 128	conflict

F: 1 - 382 (UniProt: P21453)

PDB	External Database	Details
Leu 383	-	expression tag
Glu 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag
His 389	-	expression tag
His 390	-	expression tag
His 391	-	expression tag
His 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	174334.9
Non-Polymers*	Number of molecules	1
	Total formula weight	573.5
All*	Total formula weight	174908.3

*Water molecules are not included.