5CGD

Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5	polymer	444	49802.5	1	UniProt (P41594) UniProt (P00720) Pfam (PF00003) Pfam (PF00959)	Homo sapiens (Human)	mGluR5,Lysis protein,Lysozyme,Muramidase,mGluR5
2	B, C, D, E (A)	OLEIC ACID	non-polymer		282.5	4	Chemie (OLA)
3	F (A)	3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile	non-polymer		310.7	1	Chemie (51E)
4	G (A)	water	water		18.0	65	Chemie (HOH)

Sequence modifications

A: 569 - 678 (UniProt: P41594)

PDB	External Database	Details
Ala 566	-	expression tag
Ala 567	-	expression tag
Ser 568	-	expression tag
Ala 579	Glu 579	engineered mutation
Tyr 667	Asn 667	engineered mutation
Ala 669	Ile 669	engineered mutation
Met 675	Gly 675	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

A: 679 - 836 (UniProt: P41594)

PDB	External Database	Details
Ala 742	Thr 742	engineered mutation
Ala 753	Ser 753	engineered mutation
Ala 837	-	expression tag
Ala 838	-	expression tag
Ala 839	-	expression tag
His 840	-	expression tag
His 841	-	expression tag
His 842	-	expression tag
His 843	-	expression tag
His 844	-	expression tag
His 845	-	expression tag
His 846	-	expression tag
His 847	-	expression tag
His 848	-	expression tag
His 849	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	49802.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1440.6
All*	Total formula weight	51243.1

*Water molecules are not included.