9TC7

Inactive-state structure of GPR55 in complex with 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 (H)	anti-bRIL fab heavy-chain	polymer	245	26064.3	1		Synthetic construct
2	B (L)	anti-bRIL fab light-chain	polymer	232	25339.5	1		Synthetic construct
3	C (N)	Fab-Nb	polymer	162	17585.5	1		Synthetic construct
4	D (A)	Green fluorescent protein,G-protein coupled receptor 55,Soluble cytochrome b562	polymer	741	83224.3	1	UniProt (P42212) UniProt (Q9Y2T6) UniProt (P0ABE7)	Aequorea victoria	Cytochrome b-562
5	E (A)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR) PubChem (5997)
6	F (A)	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: -256 - -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	-	expression tag
Lys -257	-	expression tag
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

A: 1 - 212 (UniProt: Q9Y2T6)

PDB	External Database	Details
Lys 108	Ser 108	engineered mutation

A: 1001 - 1106 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 1007	Met 29	engineered mutation
Ile 1102	His 124	engineered mutation
Leu 1106	Arg 128	engineered mutation

A: 216 - 306 (UniProt: Q9Y2T6)

PDB	External Database	Details
Gly 307	-	expression tag
Ala 308	-	expression tag
Gly 309	-	expression tag
Ser 310	-	expression tag
Gly 311	-	expression tag
Ala 312	-	expression tag
Gly 313	-	expression tag
Ser 314	-	expression tag
Ala 315	-	expression tag
Trp 316	-	expression tag
Ser 317	-	expression tag
His 318	-	expression tag
Pro 319	-	expression tag
Gln 320	-	expression tag
Phe 321	-	expression tag
Glu 322	-	expression tag
Lys 323	-	expression tag
Gly 324	-	expression tag
Gly 325	-	expression tag
Gly 326	-	expression tag
Ser 327	-	expression tag
Gly 328	-	expression tag
Gly 329	-	expression tag
Gly 330	-	expression tag
Ser 331	-	expression tag
Gly 332	-	expression tag
Gly 333	-	expression tag
Ser 334	-	expression tag
Ala 335	-	expression tag
Trp 336	-	expression tag
Ser 337	-	expression tag
His 338	-	expression tag
Pro 339	-	expression tag
Gln 340	-	expression tag
Phe 341	-	expression tag
Glu 342	-	expression tag
Lys 343	-	expression tag
Gly 344	-	expression tag
Ala 345	-	expression tag
Gly 346	-	expression tag
Ser 347	-	expression tag
His 348	-	expression tag
His 349	-	expression tag
His 350	-	expression tag
His 351	-	expression tag
His 352	-	expression tag
His 353	-	expression tag
His 354	-	expression tag
His 355	-	expression tag
His 356	-	expression tag
His 357	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	152213.5
Non-Polymers*	Number of molecules	2
	Total formula weight	812.1
All*	Total formula weight	153025.6

*Water molecules are not included.