4Z36

Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Lysophosphatidic acid receptor 1,Soluble cytochrome b562	polymer	459	51842.3	1	UniProt (Q92633) UniProt (P0ABE7) Pfam (PF00001)	Homo sapiens (Human)	LPA-1,Lysophosphatidic acid receptor Edg-2,Cytochrome b-562,Cytochrome b-562,LPA-1,Lysophosphatidic acid receptor Edg-2
2	B (A)	1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropan ecarboxylic acid	non-polymer		518.6	1	Chemie (ON3)
3	C (A)	(2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate	non-polymer		300.4	1	Chemie (1WV)
4	D (A)	water	water		18.0	3	Chemie (HOH)

Sequence modifications

A: 2 - 232 (UniProt: Q92633)

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
Gly -1	-	expression tag
Ala 0	-	expression tag
Pro 1	-	expression tag
Cys 204	Asp 204	engineered mutation

A: 1001 - 1042 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 1007	Met 29	engineered mutation

A: 1056 - 1105 (UniProt: P0ABE7)

PDB	External Database	Details
Gly 1043	-	linker
Gly 1049	-	linker
Ser 1050	-	linker
Gly 1051	-	linker
Gly 1052	-	linker
Ser 1053	-	linker
Asp 1054	-	linker
Ser 1055	-	linker
Ile 1102	His 124	engineered mutation
Leu 1106	-	linker

A: 248 - 326 (UniProt: Q92633)

PDB	External Database	Details
Cys 282	Val 283	conflict
Gly 327	-	expression tag
Arg 328	-	expression tag
Pro 329	-	expression tag
Leu 330	-	expression tag
Glu 331	-	expression tag
Val 332	-	expression tag
Leu 333	-	expression tag
Phe 334	-	expression tag
Gln 335	-	expression tag
Gly 336	-	expression tag
Pro 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag
His 341	-	expression tag
His 342	-	expression tag
His 343	-	expression tag
His 344	-	expression tag
His 345	-	expression tag
His 346	-	expression tag
His 347	-	expression tag
Asp 348	-	expression tag
Tyr 349	-	expression tag
Lys 350	-	expression tag
Asp 351	-	expression tag
Asp 352	-	expression tag
Asp 353	-	expression tag
Asp 354	-	expression tag
Lys 355	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	51842.3
Non-Polymers*	Number of molecules	2
	Total formula weight	819.0
All*	Total formula weight	52661.4

*Water molecules are not included.