5TGZ

Crystal Structure of the Human Cannabinoid Receptor CB1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1	polymer	452	50337.4	1	UniProt (P21554) UniProt (P00323) Pfam (PF00001) Pfam (PF00258)	Homo sapiens (Human)	CB1,CANN6,CB1,CANN6
2	B (A)	4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate	non-polymer		542.4	1	Chemie (ZDG)
3	C (A)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	1	Chemie (FMN)
4	D (A)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)
5	E, F, G (A)	OLEIC ACID	non-polymer		282.5	3	Chemie (OLA)
6	H (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7	I (A)	water	water		18.0	9	Chemie (HOH)

Sequence modifications

A: 99 - 306 (UniProt: P21554)

PDB	External Database	Details
Gly -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag
Ala 210	Thr 210	engineered mutation
Lys 273	Glu 273	engineered mutation
Val 283	Thr 283	engineered mutation

A: 1002 - 1148 (UniProt: P00323)

PDB	External Database	Details
Ala 1002	Pro 2	engineered mutation
Trp 1098	Tyr 98	engineered mutation

A: 332 - 414 (UniProt: P21554)

PDB	External Database	Details
Glu 340	Arg 340	engineered mutation
His 415	-	expression tag
His 416	-	expression tag
His 417	-	expression tag
His 418	-	expression tag
His 419	-	expression tag
His 420	-	expression tag
His 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50337.4
Non-Polymers*	Number of molecules	7
	Total formula weight	2308.8
All*	Total formula weight	52646.2

*Water molecules are not included.