5XR8

Crystal structure of the human CB1 in complex with agonist AM841

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,Flavodoxin,Cannabinoid receptor 1	polymer	438	48627.6	1	UniProt (P21554) UniProt (P00323) Pfam (PF00001) Pfam (PF00258) In PDB	Homo sapiens (Human)	CB1,CANN6,CB1,CANN6
2	A	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	1	Chemie (FMN)
3	A	(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol	non-polymer		445.7	1	Chemie (8D0)
4	A	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
5	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6		water	water		18.0	1	Chemie (HOH)

Sequence modifications

A: 99 - 306 (UniProt: P21554)

PDB	External Database	Details
Ala 210	Thr 210	engineered mutation
Lys 273	Glu 273	engineered mutation
Val 283	Thr 283	engineered mutation

A: 308 - 453 (UniProt: P00323)

PDB	External Database	Details
Trp 403	Tyr 98	engineered mutation

A: null - 536 (UniProt: P21554)

PDB	External Database	Details
Ala 307	-	linker
Glu 462	Arg 340	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48627.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1394.8
All*	Total formula weight	50022.4

*Water molecules are not included.