2XX7

Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	GLUTAMATE RECEPTOR 2	polymer	291	32185.9	3	UniProt (P19491) Pfam (PF10613) Pfam (PF00060) Pfam (PF00497) In PDB	RATTUS NORVEGICUS (NORWAY RAT)	GLUR-2, AMPA-SELECTIVE GLUTAMATE RECEPTOR 2, GLUR-B, GLUR-K2, GLUTAMATE RECEPTOR IONOTROPIC\,AMPA 2, GLUA2
2	A, B, C	GLUTAMIC ACID	non-polymer		147.1	3	Chemie (GLU)
3	A, B	1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE	non-polymer		363.4	2	Chemie (1ND)
4	B	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	B, C	ZINC ION	non-polymer		65.4	5	Chemie (ZN)
6		water	water		18.0	541	Chemie (HOH)

Sequence modifications

A, B, C: 3 - 117 (UniProt: P19491)

PDB	External Database	Details
Met -28	-	expression tag
Gly -27	-	expression tag
Ser -26	-	expression tag
Ser -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
Gly -16	-	expression tag
Leu -15	-	expression tag
Val -14	-	expression tag
Pro -13	-	expression tag
Arg -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
Met -8	-	expression tag
Gly -7	-	expression tag
Ser -6	-	expression tag
Gly -5	-	expression tag
Asn -4	-	expression tag
Asp -3	-	expression tag
Thr -2	-	expression tag
Ser -1	-	expression tag
Arg 0	-	expression tag
Gly 1	-	expression tag
Ala 2	-	expression tag

A, B, C: 120 - 262 (UniProt: P19491)

PDB	External Database	Details
Gly 118	-	linker
Thr 119	-	linker
Ser 242	Asn 775	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	96557.7
Non-Polymers*	Number of molecules	11
	Total formula weight	1591.2
All*	Total formula weight	98148.9

*Water molecules are not included.