8JT8

Crystal structure of 5-HT2AR in complex with (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	5-hydroxytryptamine receptor 2A,Soluble cytochrome b562	polymer	376	41958.1	1	UniProt (P28223) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361) In PDB	Homo sapiens (human)	5-HT-2,5-HT-2A,Serotonin receptor 2A,Cytochrome b-562
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	A	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)
4	A	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	7	Chemie (OLC)
5	A	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR)
6	A	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
7	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)

Sequence modifications

A: 70 - 265 (UniProt: P28223)

PDB	External Database	Details
Gly 67	-	expression tag
Gly 68	-	expression tag
Thr 69	-	expression tag
Lys 162	Ser 162	engineered mutation
Trp 164	Met 164	engineered mutation

A: 1001 - 1040 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 1007	Met 29	engineered mutation

A: 1066 - 1106 (UniProt: P0ABE7)

PDB	External Database	Details
Gly 1061	-	linker
Ser 1062	-	linker
Gly 1063	-	linker
Ser 1064	-	linker
Gly 1065	-	linker
Ile 1098	Arg 120	engineered mutation
Ile 1102	His 124	engineered mutation
Gly 1106	Arg 128	engineered mutation

A: 313 - 403 (UniProt: P28223)

PDB	External Database	Details
Asn 372	Ser 372	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41958.1
Non-Polymers*	Number of molecules	14
	Total formula weight	4121.4
All*	Total formula weight	46079.4

*Water molecules are not included.