6KQI

Structure of an allosteric modulator bound to the CB1 cannabinoid receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cannabinoid receptor 1,GlgA glycogen synthase,Cannabinoid receptor 1	polymer	492	55545.5	1	UniProt (P21554) UniProt (Q9V2J8) Pfam (PF00001) Pfam (PF13692) In PDB	Homo sapiens (Human)	CB1,CANN6,Glycogen synthase
2	A	2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol	non-polymer		376.6	1	Chemie (9GF)
3	A	5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide	non-polymer		410.0	1	Chemie (9GL)
4	A	OLEIC ACID	non-polymer		282.5	4	Chemie (OLA)
5	A	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	2	Chemie (OLC)
6	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)

Sequence modifications

A: 94 - 301 (UniProt: P21554)

PDB	External Database	Details
Gly 93	-	expression tag
Lys 203	Ser 203	engineered mutation
Ala 210	Thr 210	engineered mutation
Lys 273	Glu 273	engineered mutation
Val 283	Thr 283	engineered mutation

A: 1001 - 1196 (UniProt: Q9V2J8)
A: 333 - 413 (UniProt: P21554)

PDB	External Database	Details
Glu 340	Arg 340	engineered mutation
Glu 414	-	expression tag
Asn 415	-	expression tag
Leu 416	-	expression tag
Tyr 417	-	expression tag
Phe 418	-	expression tag
Gln 419	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	55545.5
Non-Polymers*	Number of molecules	10
	Total formula weight	2841.7
All*	Total formula weight	58387.2

*Water molecules are not included.