8GAG

Cannabinoid receptor 1-Gi complex with novel ligand

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40415.0	1	UniProt (P63096) Pfam (PF00503)	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	338	37198.7	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)
3	C (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631)	Homo sapiens (human)	G gamma-I
4	D (R)	Cannabinoid receptor 1	polymer	495	55678.5	1	UniProt (P21554) Pfam (PF00001)	Homo sapiens (human)	CB1,CANN6
5	E (S)	scFv16	polymer	259	27784.9	1		Mus musculus (house mouse)
6	F (R)	methyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate	non-polymer		437.4	1	Chemie (YVF)

Sequence modifications

R: -6 - 472 (UniProt: P21554)

PDB	External Database	Details
Asp -14	-	expression tag
Tyr -13	-	expression tag
Lys -12	-	expression tag
Asp -11	-	expression tag
Asp -10	-	expression tag
Asp -9	-	expression tag
Asp -8	-	expression tag
Ala -7	-	expression tag
Glu 81	-	insertion
Asn 82	-	insertion
Leu 83	-	insertion
Tyr 84	-	insertion
Phe 85	-	insertion
Gln 86	-	insertion
Gly 87	-	insertion
Gly 473	-	expression tag
Ser 474	-	expression tag
His 475	-	expression tag
His 476	-	expression tag
His 477	-	expression tag
His 478	-	expression tag
His 479	-	expression tag
His 480	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	168938.3
Non-Polymers*	Number of molecules	1
	Total formula weight	437.4
All*	Total formula weight	169375.7

*Water molecules are not included.