8K4S

CryoEM structure of Gq coupled MRGPRX4 with agonist DCA-3P

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (E)	Soluble cytochrome b562,Mas-related G-protein coupled receptor member X4,Green fluorescent protein	polymer	710	79795.7	1	UniProt (P0ABE7) UniProt (Q96LA9) UniProt (P42212) Pfam (PF07361) Pfam (PF00001) Pfam (PF01353)	Escherichia coli	Cytochrome b-562,Sensory neuron-specific G-protein coupled receptor 5/6
2	B (A)	Gs-mini-Gq chimera	polymer	246	28084.8	1	Pfam (PF00503) UniProt (by SIFTS) (A0A590UJY2)	Homo sapiens (human)
3	C (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	340	37342.8	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
4	D (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	80	8506.8	1	UniProt (P59768) Pfam (PF00631)	Homo sapiens (human)	G gamma-I
5	E (D)	scFv16	polymer	254	26955.0	1		Mus musculus (house mouse)
6	F (E)	(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid	non-polymer		472.6	1	Chemie (JW0)

Sequence modifications

E: -105 - 0 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -115	-	expression tag
Tyr -114	-	expression tag
Lys -113	-	expression tag
Asp -112	-	expression tag
Asp -111	-	expression tag
Asp -110	-	expression tag
Asp -109	-	expression tag
Lys -108	-	expression tag
Glu -107	-	expression tag
Phe -106	-	expression tag
Trp -99	Met 29	conflict
Ile -4	His 124	conflict
Leu 0	Arg 128	conflict

E: 1 - 322 (UniProt: Q96LA9)

PDB	External Database	Details
Leu 323	-	linker
Glu 324	-	linker
Leu 325	-	linker
Glu 326	-	linker
Val 327	-	linker
Leu 328	-	linker
Phe 329	-	linker
Gln 330	-	linker
Gly 331	-	linker
Pro 332	-	linker

E: 333 - 566 (UniProt: P42212)

PDB	External Database	Details
Arg 361	Ser 30	conflict
Asn 370	Tyr 39	conflict
Leu 395	Phe 64	conflict
Thr 396	Ser 65	conflict
Arg 411	Gln 80	conflict
Ser 430	Phe 99	conflict
Thr 436	Asn 105	conflict
Phe 476	Tyr 145	conflict
Thr 484	Met 153	conflict
Ala 494	Val 163	conflict
Val 502	Ile 171	conflict
Val 537	Ala 206	conflict
Trp 567	-	expression tag
Ser 568	-	expression tag
His 569	-	expression tag
Pro 570	-	expression tag
Gln 571	-	expression tag
Phe 572	-	expression tag
Glu 573	-	expression tag
Lys 574	-	expression tag
Gly 575	-	expression tag
Gly 576	-	expression tag
Gly 577	-	expression tag
Ser 578	-	expression tag
Gly 579	-	expression tag
Gly 580	-	expression tag
Gly 581	-	expression tag
Ser 582	-	expression tag
Gly 583	-	expression tag
Gly 584	-	expression tag
Ser 585	-	expression tag
Ala 586	-	expression tag
Trp 587	-	expression tag
Ser 588	-	expression tag
His 589	-	expression tag
Pro 590	-	expression tag
Gln 591	-	expression tag
Phe 592	-	expression tag
Glu 593	-	expression tag
Lys 594	-	expression tag

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Gly 1	-	expression tag

C: 1 - 71 (UniProt: P59768)

PDB	External Database	Details
Gly 72	-	expression tag
Ser 73	-	expression tag
Ala 74	-	expression tag
Gly 75	-	expression tag
Ser 76	-	expression tag
Ala 77	-	expression tag
Gly 78	-	expression tag
Ser 79	-	expression tag
Ala 80	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	180685.1
Non-Polymers*	Number of molecules	1
	Total formula weight	472.6
All*	Total formula weight	181157.7

*Water molecules are not included.