7P00

Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (H)	Antibody fragment scFv16	polymer	298	32409.2	1		Mus musculus (Mouse)
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	354	39086.6	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (Human)	Transducin beta chain 1
3	C (G)	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 (A)	Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	polymer	246	28304.2	1	UniProt (P63096) UniProt (A0A590UJY2) Pfam (PF00503) UniProt (by SIFTS) (P63092)	Homo sapiens (Human)	Adenylate cyclase-inhibiting G alpha protein
5	E (R)	Substance-P receptor	polymer	382	44218.7	1	UniProt (P25103) Pfam (PF00001)	Homo sapiens (Human)	SPR,NK-1 receptor,NK-1R,Tachykinin receptor 1
6	F (P)	Substance P	polymer	12	1348.6	1	Pfam (PF02202) UniProt (by SIFTS) (P20366)	Homo sapiens
7	G (R)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)

Sequence modifications

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -13	-	initiating methionine
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

A: 1 - 184 (UniProt: P63096)

PDB	External Database	Details
Glu 20	Asp 20	engineered mutation
Lys 21	Arg 21	engineered mutation
Gln 22	Asn 22	engineered mutation
Gln 24	Arg 24	engineered mutation
Lys 25	Glu 25	engineered mutation
Lys 27	Gly 27	engineered mutation
Gln 28	Glu 28	engineered mutation
Val 29	Lys 29	engineered mutation
Tyr 30	Ala 30	engineered mutation
Arg 31	Ala 31	engineered mutation
Ala 32	Arg 32	engineered mutation
Thr 33	Glu 33	engineered mutation
His 34	Val 34	engineered mutation
Arg 35	Lys 35	engineered mutation
Asp 42	Gly 42	engineered mutation
Asn 43	Glu 43	engineered mutation
Arg 185	-	linker
Ile 186	-	linker
Leu 187	-	linker
His 188	-	linker
Gly 189	-	linker
Gly 190	-	linker
Ser 191	-	linker
Gly 192	-	linker
Gly 193	-	linker
Ser 194	-	linker
Gly 195	-	linker
Gly 196	-	linker
Thr 197	-	linker
Ser 198	-	linker
Gly 199	-	linker

A: 200 - 377 (UniProt: A0A590UJY2)

PDB	External Database	Details
Asp 242	Ala 92	engineered mutation
Asp 245	Ser 95	engineered mutation
-	Asn 97	deletion
-	Met 98	deletion
-	Val 99	deletion
-	Ile 100	deletion
-	Arg 101	deletion
-	Glu 102	deletion
-	Asp 103	deletion
-	Asn 104	deletion
-	Gln 105	deletion
-	Thr 106	deletion
Ala 355	Ile 215	engineered mutation
Ile 358	Val 218	engineered mutation
Lys 363	Arg 223	engineered mutation
Leu 367	Gln 227	engineered mutation
Gln 368	Arg 228	engineered mutation
Asn 370	His 230	engineered mutation
Glu 373	Gln 233	engineered mutation
Asn 375	Glu 235	engineered mutation
Val 377	Leu 237	engineered mutation

R: 1 - 335 (UniProt: P25103)

PDB	External Database	Details
Met -46	-	initiating methionine
Lys -45	-	expression tag
Phe -44	-	expression tag
Leu -43	-	expression tag
Val -42	-	expression tag
Asn -41	-	expression tag
Val -40	-	expression tag
Ala -39	-	expression tag
Leu -38	-	expression tag
Val -37	-	expression tag
Phe -36	-	expression tag
Met -35	-	expression tag
Val -34	-	expression tag
Val -33	-	expression tag
Tyr -32	-	expression tag
Ile -31	-	expression tag
Ser -30	-	expression tag
Tyr -29	-	expression tag
Ile -28	-	expression tag
Tyr -27	-	expression tag
Ala -26	-	expression tag
Asp -25	-	expression tag
Tyr -24	-	expression tag
Lys -23	-	expression tag
Asp -22	-	expression tag
Asp -21	-	expression tag
Asp -20	-	expression tag
Asp -19	-	expression tag
Lys -18	-	expression tag
His -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
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	153228.5
Non-Polymers*	Number of molecules	1
	Total formula weight	386.7
All*	Total formula weight	153615.2

*Water molecules are not included.