8IRS

Dopamine Receptor D2R-Gi-Rotigotine complex

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	40414.0	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	345	37915.5	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
3	C (E)	ScFv16	polymer	248	26466.5	1		Mus musculus
4	D (G)	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
5	E (R)	Soluble cytochrome b562,D(2) dopamine receptor	polymer	588	67234.6	1	UniProt (P0ABE7) UniProt (P14416) Pfam (PF07361) Pfam (PF00001)	Escherichia coli	Cytochrome b-562,Dopamine D2 receptor
6	F (R)	Rotigotine	non-polymer		315.5	1	Chemie (R5F)

Sequence modifications

A: 1 - 354 (UniProt: P63096)

PDB	External Database	Details
Asn 47	Ser 47	conflict
Ala 203	Gly 203	conflict
Ala 245	Glu 245	conflict
Ser 326	Ala 326	conflict

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -4	-	initiating methionine
Gly -3	-	expression tag
Ser -2	-	expression tag
Leu -1	-	expression tag
Leu 0	-	expression tag
Gln 1	-	expression tag

R: -116 - -12 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -144	-	expression tag
Tyr -143	-	expression tag
Lys -142	-	expression tag
Asp -141	-	expression tag
Asp -140	-	expression tag
Asp -139	-	expression tag
Asp -138	-	expression tag
Ala -137	-	expression tag
Lys -136	-	expression tag
Leu -135	-	expression tag
Gln -134	-	expression tag
Thr -133	-	expression tag
Met -132	-	expression tag
His -131	-	expression tag
His -130	-	expression tag
His -129	-	expression tag
His -128	-	expression tag
His -127	-	expression tag
His -126	-	expression tag
His -125	-	expression tag
His -124	-	expression tag
His -123	-	expression tag
His -122	-	expression tag
His -121	-	expression tag
His -120	-	expression tag
His -119	-	expression tag
His -118	-	expression tag
His -117	-	expression tag
Trp -110	Met 29	conflict
Ile -15	His 124	conflict
Leu -11	-	linker
Ala -10	-	linker
Ser -9	-	linker
Glu -8	-	linker
Asn -7	-	linker
Leu -6	-	linker
Tyr -5	-	linker
Phe -4	-	linker
Gln -3	-	linker
Gly -2	-	linker
Gly -1	-	linker
Thr 0	-	linker

R: 1 - 443 (UniProt: P14416)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	179891.8
Non-Polymers*	Number of molecules	1
	Total formula weight	315.5
All*	Total formula weight	180207.2

*Water molecules are not included.