7S8P

CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Gs-mini-Gq chimera	polymer	246	28084.8	1		Homo sapiens (Human)
2	B (C)	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 (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 (E)	scFv16	polymer	267	28668.9	1		Mus musculus (Mouse)
5	E (R)	Soluble cytochrome b562,Mas-related G-protein coupled receptor member X4 chimera	polymer	472	53422.1	1	UniProt (P0ABE7) UniProt (Q96LA9) Pfam (PF00001) Pfam (PF07361)	Escherichia coli	Cytochrome b-562,Sensory neuron-specific G-protein coupled receptor 5/6
6	F (R)	N-[(1r,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-D-phenylalanine	non-polymer		355.5	1	Chemie (8IX)

Sequence modifications

C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -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
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: -115 - -10 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -149	-	expression tag
Tyr -148	-	expression tag
Lys -147	-	expression tag
Asp -146	-	expression tag
Asp -145	-	expression tag
Asp -144	-	expression tag
Asp -143	-	expression tag
Ala -142	-	expression tag
Lys -141	-	expression tag
Leu -140	-	expression tag
Gln -139	-	expression tag
Thr -138	-	expression tag
Met -137	-	expression tag
His -136	-	expression tag
His -135	-	expression tag
His -134	-	expression tag
His -133	-	expression tag
His -132	-	expression tag
His -131	-	expression tag
His -130	-	expression tag
His -129	-	expression tag
His -128	-	expression tag
His -127	-	expression tag
Glu -126	-	expression tag
Asn -125	-	expression tag
Leu -124	-	expression tag
Tyr -123	-	expression tag
Phe -122	-	expression tag
Gln -121	-	expression tag
Gly -120	-	expression tag
Gly -119	-	expression tag
Thr -118	-	expression tag
Thr -117	-	expression tag
Met -116	-	expression tag
Trp -109	Met 29	engineered mutation
Ile -14	His 124	engineered mutation
Leu -10	Arg 128	engineered mutation
Gly -9	-	insertion
Ser -8	-	insertion
Thr -7	-	insertion
Leu -6	-	insertion
Glu -5	-	insertion
Val -4	-	insertion
Leu -3	-	insertion
Phe -2	-	insertion
Gln -1	-	insertion
Gly 0	-	insertion
Pro 1	-	insertion

R: 2 - 322 (UniProt: Q96LA9)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	157455.1
Non-Polymers*	Number of molecules	1
	Total formula weight	355.5
All*	Total formula weight	157810.6

*Water molecules are not included.