9DQJ

CryoEM structure of Gq-coupled MRGPRD with a new agonist EP-3945

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)	Mas-related G-protein coupled receptor member D	polymer	322	36171.5	1	UniProt (Q8TDS7) Pfam (PF00001)	Homo sapiens (human)	Beta-alanine receptor,G-protein coupled receptor TGR7
2	B (B)	Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas	polymer	246	28084.8	1	UniProt (P04899) UniProt (Q5JWF2) Pfam (PF00503)	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein,Adenylate cyclase-stimulating G alpha protein,Extra large alphas protein,XLalphas
3	C (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	345	37728.2	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
4	D (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
5	E (E)	scFv16	polymer	257	27409.6	1		Mus musculus
6	F (A)	2-({1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-4-yl}amino)quinazolin-4(3H)-one	non-polymer		418.5	1	Chemie (A1BEQ)

Sequence modifications

A: 2 - 321 (UniProt: Q8TDS7)

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

B: 1 - 57 (UniProt: P04899)

PDB	External Database	Details
Ser 3	Cys 3	engineered mutation
Arg 31	Ala 31	engineered mutation
Thr 33	Glu 33	engineered mutation
Leu 34	Val 34	engineered mutation
Arg 35	Lys 35	engineered mutation
Asp 42	Gly 42	engineered mutation
Asn 43	Glu 43	engineered mutation
Arg 54	Lys 54	engineered mutation
Leu 56	Ile 56	engineered mutation
Gly 58	-	linker
Gly 59	-	linker
Ser 60	-	linker
Gly 61	-	linker
Gly 62	-	linker
Ser 63	-	linker
Gly 64	-	linker
Gly 65	-	linker

B: 66 - 246 (UniProt: Q5JWF2)

PDB	External Database	Details
Asp 111	Ala 892	engineered mutation
Asp 114	Ser 895	engineered mutation
-	Asn 897	deletion
-	Met 898	deletion
-	Val 899	deletion
-	Ile 900	deletion
-	Arg 901	deletion
-	Glu 902	deletion
-	Asp 903	deletion
-	Asn 904	deletion
-	Gln 905	deletion
-	Thr 906	deletion
Asp 124	Leu 915	engineered mutation
Lys 195	Asp 986	engineered mutation
Val 198	Leu 989	engineered mutation
Asp 199	Arg 990	engineered mutation
Ile 210	Tyr 1001	engineered mutation
Ala 224	Ile 1015	engineered mutation
Ile 227	Val 1018	engineered mutation
Lys 232	Arg 1023	engineered mutation
Leu 236	Gln 1027	engineered mutation
Gln 237	Arg 1028	engineered mutation
Asn 239	His 1030	engineered mutation
Glu 242	Gln 1033	engineered mutation
Asn 244	Glu 1035	engineered mutation
Val 246	Leu 1037	engineered mutation

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

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	137255.2
Non-Polymers*	Number of molecules	1
	Total formula weight	418.5
All*	Total formula weight	137673.7

*Water molecules are not included.