8HJ5

Cryo-EM structure of Gq-coupled MRGPRX1 bound with Compound-16

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(q) subunit alpha	polymer	362	41855.6	1		Homo sapiens
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	384	42005.9	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
3	C (D)	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
4	D (C)	scFv16	polymer	259	27784.9	1		Mus musculus
5	E (F)	Soluble cytochrome b562,Mas-related G-protein coupled receptor member X1,LgBit	polymer	637	71462.6	1	UniProt (P0ABE7) UniProt (Q96LB2) Pfam (PF00001) Pfam (PF07361)	Escherichia coli	Cytochrome b-562,Sensory neuron-specific G-protein coupled receptor 3/4
6	F (E)	Nb35	polymer	157	17057.3	1		Vicugna pacos
7	G (F)	N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonamide	non-polymer		435.5	1	Chemie (U2U)

Sequence modifications

B: 23 - 361 (UniProt: P62873)

PDB	External Database	Details
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Leu 11	-	expression tag
Glu 12	-	linker
Val 13	-	linker
Leu 14	-	linker
Phe 15	-	linker
Gln 16	-	linker
Gly 17	-	linker
Pro 18	-	linker
Gly 19	-	linker
Ser 20	-	linker
Ser 21	-	linker
Gly 22	-	linker
Gly 362	-	linker
Ala 363	-	linker
Ser 364	-	linker
Gly 365	-	linker
Ala 366	-	linker
Ser 367	-	linker
Gly 368	-	linker
Ala 369	-	linker
Ser 370	-	linker
Gly 371	-	linker
Ala 372	-	linker
Ser 373	-	linker
Val 374	-	expression tag
Ser 375	-	expression tag
Gly 376	-	expression tag
Trp 377	-	expression tag
Arg 378	-	expression tag
Leu 379	-	expression tag
Phe 380	-	expression tag
Lys 381	-	expression tag
Lys 382	-	expression tag
Ile 383	-	expression tag
Ser 384	-	expression tag

F: -104 - 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
Ala -105	-	expression tag
Trp -99	Met 29	engineered mutation
Ile -4	His 124	engineered mutation
Leu 0	Arg 128	engineered mutation

F: 1 - 322 (UniProt: Q96LB2)
F: 323 - 497 (PDB: 8HJ5)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	208027.4
Non-Polymers*	Number of molecules	1
	Total formula weight	435.5
All*	Total formula weight	208462.9

*Water molecules are not included.