9TC9

Active-state structure of the GPR55-N171Q mutant in complex with G13 and BI-6229

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)	Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein subunit alpha-13	polymer	230	26574.4	1	UniProt (P04899) UniProt (Q14344)	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein,G alpha-13,G-protein subunit alpha-13
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	358	39418.1	1	UniProt (P62873)	Homo sapiens (human)	Transducin beta chain 1
3	C (F)	ScFv16	polymer	304	32626.5	1		Synthetic construct
4	D (G)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	80	8506.8	1	UniProt (P59768)	Homo sapiens (human)	G gamma-I
5	E (R)	Green fluorescent protein,G-protein coupled receptor 55	polymer	650	73138.8	1	UniProt (P42212) UniProt (Q9Y2T6)	Aequorea victoria (Water jellyfish)
6	F (R)	4-[(4~{S})-4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxidanylidene-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid	non-polymer		425.4	1	Chemie (A1JU1)

Sequence modifications

A: 1 - 15 (UniProt: P04899)

PDB	External Database	Details
Ser 3	Cys 3	engineered mutation

A: 16 - 58 (UniProt: Q14344)

PDB	External Database	Details
Asp 42	Gly 57	engineered mutation
Asn 43	Glu 58	engineered mutation

A: 66 - 230 (UniProt: Q14344)

PDB	External Database	Details
Gly 59	-	linker
Ser 60	-	linker
Gly 61	-	linker
Gly 62	-	linker
Ser 63	-	linker
Gly 64	-	linker
Gly 65	-	linker
Asp 111	Ser 248	engineered mutation
Asp 114	Glu 251	engineered mutation
-	Asp 253	deletion
-	Gln 254	deletion
-	Val 255	deletion
-	Leu 256	deletion
-	Met 257	deletion
-	Glu 258	deletion
-	Asp 259	deletion
-	Arg 260	deletion
-	Leu 261	deletion
-	Thr 262	deletion
Asp 124	Ile 271	engineered mutation
Ala 208	Ile 355	engineered mutation
Ile 211	Val 358	engineered mutation

B: 20 - 358 (UniProt: P62873)

PDB	External Database	Details
Met 1	-	initiating methionine
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Leu 8	-	expression tag
Glu 9	-	expression tag
Val 10	-	expression tag
Leu 11	-	expression tag
Phe 12	-	expression tag
Gln 13	-	expression tag
Gly 14	-	expression tag
Pro 15	-	expression tag
Gly 16	-	expression tag
Ser 17	-	expression tag
Ser 18	-	expression tag
Gly 19	-	expression tag

G: 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

R: -258 - -21 (UniProt: P42212)

PDB	External Database	Details
Met -280	-	initiating methionine
Lys -279	-	expression tag
Thr -278	-	expression tag
Ile -277	-	expression tag
Ile -276	-	expression tag
Ala -275	-	expression tag
Leu -274	-	expression tag
Ser -273	-	expression tag
Tyr -272	-	expression tag
Ile -271	-	expression tag
Phe -270	-	expression tag
Cys -269	-	expression tag
Leu -268	-	expression tag
Val -267	-	expression tag
Phe -266	-	expression tag
Ala -265	-	expression tag
Asp -264	-	expression tag
Tyr -263	-	expression tag
Lys -262	-	expression tag
Asp -261	-	expression tag
Asp -260	-	expression tag
Asp -259	-	expression tag
Asp -258	Met 1	engineered mutation
Lys -257	Ser 2	engineered mutation
Leu -195	Phe 64	engineered mutation
Thr -194	Ser 65	engineered mutation
Arg -179	Gln 80	engineered mutation
Ser -160	Phe 99	engineered mutation
Thr -106	Met 153	engineered mutation
Ala -96	Val 163	engineered mutation
Ala -20	-	linker
Ala -19	-	linker
Gly -18	-	linker
Ser -17	-	linker
Gly -16	-	linker
Glu -15	-	linker
Phe -14	-	linker
Leu -13	-	linker
Glu -12	-	linker
Val -11	-	linker
Leu -10	-	linker
Phe -9	-	linker
Gln -8	-	linker
Gly -7	-	linker
Pro -6	-	linker
Gly -5	-	linker
Ala -4	-	linker
Gly -3	-	linker
Ser -2	-	linker
Asp -1	-	linker
Ser 0	-	linker

R: 1 - 319 (UniProt: Q9Y2T6)

PDB	External Database	Details
Gln 171	Asn 171	engineered mutation
Ala 320	-	expression tag
Gly 321	-	expression tag
Ser 322	-	expression tag
Gly 323	-	expression tag
Ala 324	-	expression tag
Gly 325	-	expression tag
Ser 326	-	expression tag
Ala 327	-	expression tag
Trp 328	-	expression tag
Ser 329	-	expression tag
His 330	-	expression tag
Pro 331	-	expression tag
Gln 332	-	expression tag
Phe 333	-	expression tag
Glu 334	-	expression tag
Lys 335	-	expression tag
Gly 336	-	expression tag
Gly 337	-	expression tag
Gly 338	-	expression tag
Ser 339	-	expression tag
Gly 340	-	expression tag
Gly 341	-	expression tag
Gly 342	-	expression tag
Ser 343	-	expression tag
Gly 344	-	expression tag
Gly 345	-	expression tag
Ser 346	-	expression tag
Ala 347	-	expression tag
Trp 348	-	expression tag
Ser 349	-	expression tag
His 350	-	expression tag
Pro 351	-	expression tag
Gln 352	-	expression tag
Phe 353	-	expression tag
Glu 354	-	expression tag
Lys 355	-	expression tag
Gly 356	-	expression tag
Ala 357	-	expression tag
Gly 358	-	expression tag
Ser 359	-	expression tag
His 360	-	expression tag
His 361	-	expression tag
His 362	-	expression tag
His 363	-	expression tag
His 364	-	expression tag
His 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	180264.6
Non-Polymers*	Number of molecules	1
	Total formula weight	425.4
All*	Total formula weight	180690.0

*Water molecules are not included.