8DWG

CryoEM structure of Gq-coupled MRGPRX1 with peptide ligand BAM8-22 and positive allosteric modulator ML382

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Proenkephalin-A	polymer	15	1974.2	1	UniProt (P01211) In PDB	Bos taurus (cattle)
2	B	Gs-mini-Gq chimera	polymer	246	28084.8	1		Homo sapiens (human)
3	C	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	345	37728.2	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (human)	Transducin beta chain 1
4	D	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631) In PDB	Homo sapiens (human)	G gamma-I
5	R	Mas-related G-protein coupled receptor member X1	polymer	323	36299.9	1	UniProt (Q96LB2) Pfam (PF00001) In PDB	Homo sapiens (human)	Sensory neuron-specific G-protein coupled receptor 3/4
6	E	scFv16	polymer	257	27409.6	1		Mus musculus
7	R	2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide	non-polymer		360.4	1	Chemie (U39)

Sequence modifications

C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
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 - 322 (UniProt: Q96LB2)

PDB	External Database	Details
Gly 0	-	expression tag
Pro 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	139357.8
Non-Polymers*	Number of molecules	1
	Total formula weight	360.4
All*	Total formula weight	139718.2

*Water molecules are not included.