9WND

5HT2AR-miniGq heterotrimer in complex with a psychedelic psilocin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	5-hydroxytryptamine receptor 2A	polymer	337	37620.4	1	UniProt (P28223)	Homo sapiens (human)	5-HT-2,5-HT-2A,Serotonin receptor 2A
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas	polymer	326	36558.6	1	UniProt (P59768) UniProt (Q5JWF2)	Homo sapiens (human)	G gamma-I,Adenylate cyclase-stimulating G alpha protein,Extra large alphas protein,XLalphas
3	C (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	340	37342.8	1	UniProt (P62873)	Homo sapiens (human)	Transducin beta chain 1
4	D (D)	single-chain variable fragment 16 (scFv16)	polymer	258	27531.6	1		Homo sapiens
5	E (A)	3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol	non-polymer		204.3	1	Chemie (91Q)

Sequence modifications

A: 66 - 395 (UniProt: P28223)

PDB	External Database	Details
Gly 59	-	expression tag
Pro 60	-	expression tag
Gly 61	-	expression tag
Ser 62	-	expression tag
Gly 63	-	expression tag
Ser 64	-	expression tag
Gly 65	-	expression tag

B: 1 - 71 (UniProt: P59768)

PDB	External Database	Details
Gly 72	-	linker
Ser 73	-	linker
Ala 74	-	linker
Gly 75	-	linker
Ser 76	-	linker
Ala 77	-	linker
Gly 78	-	linker
Ser 79	-	linker
Ala 80	-	linker
Met 81	-	linker
Gly 82	-	linker
Cys 83	-	linker
Thr 84	-	linker
Val 85	-	linker
Ser 86	-	linker
Ala 87	-	linker
Glu 88	-	linker
Asp 89	-	linker
Lys 90	-	linker
Ala 91	-	linker
Ala 92	-	linker
Ala 93	-	linker
Glu 94	-	linker
Arg 95	-	linker
Ser 96	-	linker
Lys 97	-	linker
Met 98	-	linker
Ile 99	-	linker
Asp 100	-	linker
Lys 101	-	linker
Asn 102	-	linker
Leu 103	-	linker
Arg 104	-	linker
Glu 105	-	linker
Asp 106	-	linker
Gly 107	-	linker
Glu 108	-	linker
Lys 109	-	linker
Ala 110	-	linker
Arg 111	-	linker
Arg 112	-	linker
Thr 113	-	linker
Leu 114	-	linker
Arg 115	-	linker
Leu 116	-	linker
Leu 117	-	linker
Leu 118	-	linker
Leu 119	-	linker
Gly 120	-	linker
Ala 121	-	linker
Asp 122	-	linker
Asn 123	-	linker
Ser 124	-	linker
Gly 125	-	linker
Lys 126	-	linker
Ser 127	-	linker
Thr 128	-	linker
Ile 129	-	linker
Val 130	-	linker
Lys 131	-	linker
Gln 132	-	linker
Met 133	-	linker
Arg 134	-	linker
Ile 135	-	linker
Leu 136	-	linker
His 137	-	linker
Gly 138	-	linker
Gly 139	-	linker
Ser 140	-	linker
Gly 141	-	linker
Gly 142	-	linker
Ser 143	-	linker
Gly 144	-	linker
Gly 145	-	linker

B: 146 - 303 (UniProt: Q5JWF2)

PDB	External Database	Details
Asp 191	Ala 892	conflict
Asp 194	Ser 895	conflict
-	Asn 897	deletion
-	Met 898	deletion
-	Val 899	deletion
-	Ile 900	deletion
-	Arg 901	deletion
-	Glu 902	deletion
-	Asp 903	deletion
-	Asn 904	deletion
-	Gln 905	deletion
-	Thr 906	deletion
Ala 304	-	expression tag
Arg 305	-	expression tag
Arg 306	-	expression tag
Ile 307	-	expression tag
Phe 308	-	expression tag
Ala 309	-	expression tag
Ala 310	-	expression tag
Val 311	-	expression tag
Lys 312	-	expression tag
Asp 313	-	expression tag
Thr 314	-	expression tag
Ile 315	-	expression tag
Leu 316	-	expression tag
Gln 317	-	expression tag
Leu 318	-	expression tag
Asn 319	-	expression tag
Leu 320	-	expression tag
Arg 321	-	expression tag
Glu 322	-	expression tag
Tyr 323	-	expression tag
Asn 324	-	expression tag
Leu 325	-	expression tag
Val 326	-	expression tag

C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	139053.4
Non-Polymers*	Number of molecules	1
	Total formula weight	204.3
All*	Total formula weight	139257.7

*Water molecules are not included.