9ERX

Structural basis of D9-THC analog activity at the Cannabinoid 1 receptor

This is a non-PDB format compatible entry.

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	353	40313.9	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	358	39418.1	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
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	507	57122.4	1	UniProt (P21554) Pfam (PF00001)	Homo sapiens (human)	CB-R,CB1,CANN6
5	E (F)	Antibody ScFv16 Fab fragment	polymer	307	32898.8	1		Mus musculus (mouse)
6	F (R)	(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol	non-polymer		386.6	1	Chemie (A1H66)
7	G (R)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A: 2 - 354 (UniProt: P63096)

PDB	External Database	Details
Ala 203	Gly 203	conflict
Ser 326	Ala 326	conflict

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	initiating methionine
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

R: 2 - 472 (UniProt: P21554)

PDB	External Database	Details
Met -24	-	initiating methionine
Lys -23	-	expression tag
Thr -22	-	expression tag
Ile -21	-	expression tag
Ile -20	-	expression tag
Ala -19	-	expression tag
Leu -18	-	expression tag
Ser -17	-	expression tag
Tyr -16	-	expression tag
Ile -15	-	expression tag
Phe -14	-	expression tag
Cys -13	-	expression tag
Leu -12	-	expression tag
Val -11	-	expression tag
Phe -10	-	expression tag
Ala -9	-	expression tag
Asp -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Lys -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
His 473	-	expression tag
His 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
His 481	-	expression tag
His 482	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	177614.3
Non-Polymers*	Number of molecules	1
	Total formula weight	386.6
All*	Total formula weight	178000.9

*Water molecules are not included.