4OO9

Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Metabotropic glutamate receptor 5, Lysozyme, Metabotropic glutamate receptor 5 chimera	polymer	444	49916.6	1	UniProt (P41594) UniProt (P00720) Pfam (PF00003) Pfam (PF00959) In PDB	Homo sapiens (human T4 phage human)	mGluR5, Endolysin, Lysis protein, Muramidase
2	A	OLEIC ACID	non-polymer		282.5	4	Chemie (OLA)
3	A	Mavoglurant	non-polymer		313.4	1	Chemie (2U8)
4	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
5		water	water		18.0	46	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 - 1162 (UniProt: P00720)

PDB	External Database	Details
Thr 1054	Cys 54	engineered mutation
Ala 1097	Cys 97	engineered mutation

A: 680 - 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	49916.6
Non-Polymers*	Number of molecules	6
	Total formula weight	1638.5
All*	Total formula weight	51555.1

*Water molecules are not included.