5TZY

GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1	polymer	491	53178.3	1	UniProt (O14842) UniProt (P00720) Pfam (PF00001) Pfam (PF00959)	Homo sapiens (Human)	G-protein coupled receptor 40,Lysis protein,Lysozyme,Muramidase
2	B (A)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)
3	C (A)	(5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid	non-polymer		521.6	1	Chemie (MK6)
4	D (A)	(2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid	non-polymer		549.6	1	Chemie (7OS)

Sequence modifications

A: 1 - 211 (UniProt: O14842)

PDB	External Database	Details
Met -12	-	initiating methionine
Asp -11	-	expression tag
Tyr -10	-	expression tag
Lys -9	-	expression tag
Asp -8	-	expression tag
Asp -7	-	expression tag
Asp -6	-	expression tag
Asp -5	-	expression tag
Lys -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Ala -1	-	expression tag
Thr 0	-	expression tag
Ala 42	Leu 42	engineered mutation
Ala 103	Gly 103	engineered mutation
Phe 202	Tyr 202	engineered mutation

A: 1002 - 1161 (UniProt: P00720)

PDB	External Database	Details
Gly 1012	Arg 12	engineered mutation
Thr 1054	Cys 54	engineered mutation
Ala 1097	Cys 97	engineered mutation
Arg 1137	Ile 137	engineered mutation
Gly 1162	-	linker
Ser 2213	-	linker

A: 2214 - 2300 (UniProt: O14842)

PDB	External Database	Details
Gly 900	-	linker
Ser 901	-	linker
Ala 2301	-	expression tag
Glu 2302	-	expression tag
Asn 2303	-	expression tag
Leu 2304	-	expression tag
Tyr 2305	-	expression tag
Phe 2306	-	expression tag
Gln 2307	-	expression tag
Gly 2308	-	expression tag
His 2309	-	expression tag
His 2310	-	expression tag
His 2311	-	expression tag
His 2312	-	expression tag
His 2313	-	expression tag
His 2314	-	expression tag
His 2315	-	expression tag
His 2316	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	53178.3
Non-Polymers*	Number of molecules	3
	Total formula weight	1427.8
All*	Total formula weight	54606.0

*Water molecules are not included.