8JT6

5-HT1A-Gi in complex with compound (R)-IHCH-7179

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40414.0	1	UniProt (P63096) Pfam (PF00503) In PDB	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
2	B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	345	37915.5	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (human)
3	E	ScFv16	polymer	269	28813.0	1		Mus musculus (house mouse)
4	G	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	67	7432.6	1	UniProt (P59768) Pfam (PF00631) In PDB	Homo sapiens (human)	G gamma-I
5	R	Soluble cytochrome b562,5-hydroxytryptamine receptor 1A	polymer	544	60539.7	1	UniProt (P0ABE7) UniProt (P08908) Pfam (PF07361) Pfam (PF00001) In PDB	Escherichia coli	Cytochrome b-562,5-HT-1A,5-HT1A,G-21,Serotonin receptor 1A
6	R	CHOLESTEROL	non-polymer		386.7	5	Chemie (CLR)
7	R	PALMITIC ACID	non-polymer		256.4	2	Chemie (PLM)
8	R	[(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate	non-polymer		854.9	1	Chemie (J40)
9	R	1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one	non-polymer		377.5	1	Chemie (EZX)

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: -92 - 12 (UniProt: P0ABE7)

PDB	External Database	Details
Met -121	-	initiating methionine
Asp -120	-	expression tag
Tyr -119	-	expression tag
Lys -118	-	expression tag
Asp -117	-	expression tag
Asp -116	-	expression tag
Asp -115	-	expression tag
Asp -114	-	expression tag
Ala -113	-	expression tag
Lys -112	-	expression tag
Leu -111	-	expression tag
Gln -110	-	expression tag
Thr -109	-	expression tag
Met -108	-	expression tag
His -107	-	expression tag
His -106	-	expression tag
His -105	-	expression tag
His -104	-	expression tag
His -103	-	expression tag
His -102	-	expression tag
His -101	-	expression tag
His -100	-	expression tag
His -99	-	expression tag
His -98	-	expression tag
His -97	-	expression tag
His -96	-	expression tag
His -95	-	expression tag
His -94	-	expression tag
His -93	-	expression tag
Trp -86	Met 29	conflict
Ile 9	His 124	conflict
Leu 13	-	linker
Ala 14	-	linker
Ser 15	-	linker
Glu 16	-	linker
Asn 17	-	linker
Leu 18	-	linker
Tyr 19	-	linker
Phe 20	-	linker
Gln 21	-	linker

R: 22 - 422 (UniProt: P08908)

PDB	External Database	Details
Thr 24	Asn 24	conflict
Trp 125	Leu 125	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	175114.9
Non-Polymers*	Number of molecules	9
	Total formula weight	3678.5
All*	Total formula weight	178793.3

*Water molecules are not included.