9XPL

Crystal structure of the pufferfish taste receptor Tas1r1-Tas1r3 ligand binding domains in complex with D-phenylalanine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Taste receptor, type 1, member 1	polymer	513	56288.9	1	UniProt (Q2MHK1)	Takifugu rubripes (torafugu)
2	B (B)	Taste receptor type 1 member 3	polymer	504	56401.0	1	UniProt (H2UNJ5) Pfam (PF01094)	Takifugu rubripes (torafugu)
3	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D, E, F, I, J (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG) PubChem (24139)
5	G, K (A, B)	D-PHENYLALANINE	non-polymer		165.2	2	Chemie (DPN) PubChem (71567)
6	H (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
7	L (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL) PubChem (312)
8	M, N (A, B)	water	water		18.0	27	Chemie (HOH)

Sequence modifications

A: 1 - 501 (UniProt: Q2MHK1)

PDB	External Database	Details
Ser 242	Cys 242	engineered mutation
Gly 502	-	expression tag
Val 503	-	expression tag
Ala 504	-	expression tag
Met 505	-	expression tag
Pro 506	-	expression tag
Gly 507	-	expression tag
Ala 508	-	expression tag
Glu 509	-	expression tag
Asp 510	-	expression tag
Asp 511	-	expression tag
Val 512	-	expression tag
Val 513	-	expression tag

B: 1 - 496 (UniProt: H2UNJ5)

PDB	External Database	Details
Ser 238	Cys 238	engineered mutation
Asp 497	-	expression tag
Tyr 498	-	expression tag
Lys 499	-	expression tag
Asp 500	-	expression tag
Asp 501	-	expression tag
Asp 502	-	expression tag
Asp 503	-	expression tag
Lys 504	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	112689.8
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	9
	Total formula weight	1494.9
All*	Total formula weight	114609.1

*Water molecules are not included.