9DYF

Asenapine-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex

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	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	358	39418.1	1	UniProt (P62873) Pfam (PF25391)	Homo sapiens (human)	Transducin beta chain 1
3	C (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
4	D (R)	Soluble cytochrome b562,5-hydroxytryptamine receptor 1A	polymer	552	61375.9	1	UniProt (P0ABE7) UniProt (P08908) Pfam (PF00001)	Escherichia coli
5	E (R)	(3aS,12bR)-asenapine	non-polymer		285.8	1	Chemie (A1BIR)
6	F, G, H (R)	CHOLESTEROL	non-polymer		386.7	3	Chemie (CLR)
7	I (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)

Sequence modifications

A: 1 - 354 (UniProt: P63096)

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

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	expression tag
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: -80 - 25 (UniProt: P0ABE7)

PDB	External Database	Details
Met -129	-	initiating methionine
Lys -128	-	expression tag
Thr -127	-	expression tag
Ile -126	-	expression tag
Ile -125	-	expression tag
Ala -124	-	expression tag
Leu -123	-	expression tag
Ser -122	-	expression tag
Tyr -121	-	expression tag
Ile -120	-	expression tag
Phe -119	-	expression tag
Cys -118	-	expression tag
Leu -117	-	expression tag
Val -116	-	expression tag
Phe -115	-	expression tag
Ala -114	-	expression tag
Asp -113	-	expression tag
Tyr -112	-	expression tag
Lys -111	-	expression tag
Asp -110	-	expression tag
Asp -109	-	expression tag
Asp -108	-	expression tag
Asp -107	-	expression tag
Ala -106	-	expression tag
Lys -105	-	expression tag
Leu -104	-	expression tag
Gln -103	-	expression tag
Thr -102	-	expression tag
Met -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
His -92	-	expression tag
His -91	-	expression tag
Glu -90	-	expression tag
Asn -89	-	expression tag
Leu -88	-	expression tag
Tyr -87	-	expression tag
Phe -86	-	expression tag
Gln -85	-	expression tag
Gly -84	-	expression tag
Gly -83	-	expression tag
Thr -82	-	expression tag
Thr -81	-	expression tag
Trp -74	Met 29	conflict
Ile 21	His 124	conflict
Leu 25	Arg 128	conflict

R: 26 - 422 (UniProt: P08908)

PDB	External Database	Details
Trp 125	Leu 125	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	149069.2
Non-Polymers*	Number of molecules	5
	Total formula weight	2300.6
All*	Total formula weight	151369.8

*Water molecules are not included.