8S4D

Crystal structure of a peptidergic GPCR in complex with a small synthetic G protein-biased agonist

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)	Apelin receptor,Soluble cytochrome b562	polymer	497	56257.8	1	UniProt (P35414) UniProt (A7ZVB5) Pfam (PF00001) Pfam (PF07361) UniProt (by SIFTS) (P0ABE7)	Homo sapiens (human)	Angiotensin receptor-like 1,G-protein coupled receptor APJ,G-protein coupled receptor HG11
2	B (A)	(3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid	non-polymer		455.6	1	Chemie (A1D5N)
3	C, D, E, F, G... (A)	OLEIC ACID	non-polymer		282.5	6	Chemie (OLA)
4	I (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
5	J (A)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 7 - 1001 (UniProt: P35414)

PDB	External Database	Details
Met -17	-	initiating methionine
Lys -16	-	expression tag
Thr -15	-	expression tag
Ile -14	-	expression tag
Ile -13	-	expression tag
Ala -12	-	expression tag
Leu -11	-	expression tag
Ser -10	-	expression tag
Tyr -9	-	expression tag
Ile -8	-	expression tag
Phe -7	-	expression tag
Cys -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Phe -3	-	expression tag
Ala -2	-	expression tag
Asp -1	-	expression tag
Tyr 0	-	expression tag
Lys 1	-	expression tag
Asp 2	-	expression tag
Asp 3	-	expression tag
Asp 4	-	expression tag
Asp 5	-	expression tag
Lys 6	-	expression tag
Val 87	Thr 87	engineered mutation
Ala 112	Asn 112	engineered mutation
Asn 177	Thr 177	engineered mutation
Met 207	Thr 207	engineered mutation
Leu 214	Phe 214	engineered mutation
Ala 224	Ile 224	engineered mutation

A: 1002 - 1101 (UniProt: A7ZVB5)

PDB	External Database	Details
Trp 1007	Met 29	conflict
Ile 1102	-	linker
Gln 1103	-	linker
Lys 1104	-	linker
Tyr 1105	-	linker
Leu 1106	-	linker

A: 235 - 324 (UniProt: P35414)

PDB	External Database	Details
Ala 298	Ser 298	engineered mutation
Leu 325	-	expression tag
Met 326	-	expression tag
Gly 327	-	expression tag
Gln 328	-	expression tag
Ser 329	-	expression tag
Arg 330	-	expression tag
Leu 331	-	expression tag
Glu 332	-	expression tag
Val 333	-	expression tag
Leu 334	-	expression tag
Phe 335	-	expression tag
Gln 336	-	expression tag
Gly 337	-	expression tag
Pro 338	-	expression tag
Ala 339	-	expression tag
Ser 340	-	expression tag
Ala 341	-	expression tag
Trp 342	-	expression tag
Ser 343	-	expression tag
His 344	-	expression tag
Pro 345	-	expression tag
Gln 346	-	expression tag
Phe 347	-	expression tag
Glu 348	-	expression tag
Lys 349	-	expression tag
Gly 350	-	expression tag
Ser 351	-	expression tag
Ala 352	-	expression tag
Gly 353	-	expression tag
Ser 354	-	expression tag
Ala 355	-	expression tag
Ala 356	-	expression tag
Gly 357	-	expression tag
Ser 358	-	expression tag
Ala 359	-	expression tag
Ser 360	-	expression tag
Ala 361	-	expression tag
Trp 362	-	expression tag
Ser 363	-	expression tag
His 364	-	expression tag
Pro 365	-	expression tag
Gln 366	-	expression tag
Phe 367	-	expression tag
Glu 368	-	expression tag
Lys 369	-	expression tag
His 370	-	expression tag
His 371	-	expression tag
His 372	-	expression tag
His 373	-	expression tag
His 374	-	expression tag
His 375	-	expression tag
His 376	-	expression tag
His 377	-	expression tag
His 378	-	expression tag
His 379	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	56257.8
Non-Polymers*	Number of molecules	8
	Total formula weight	2388.7
All*	Total formula weight	58646.5

*Water molecules are not included.