6A93

Crystal structure of 5-HT2AR in complex with risperidone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	5-hydroxytryptamine receptor 2A,Soluble cytochrome b562	polymer	376	41931.1	2	UniProt (P28223) UniProt (P0ABE7) Pfam (PF00001)	Homo sapiens (Human)	5-HT-2A,Serotonin receptor 2A,Cytochrome b-562
2	C, I (A, B)	3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one	non-polymer		410.5	2	Chemie (8NU) PubChem (5073)
3	D, K (A, B)	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR) PubChem (304) PubChem (191463) PubChem (368063) PubChem (369319) PubChem (638019) PubChem (1549081) PubChem (1553803) PubChem (5283629) PubChem (5284644) PubChem (5315842) PubChem (6419195) PubChem (6994560) PubChem (7055705) PubChem (7055706) PubChem (7059398) PubChem (7059400) PubChem (7059635) PubChem (7103033) PubChem (7182477) PubChem (7182478) PubChem (9909206) PubChem (10045721) PubChem (71168115) PubChem (10134774) PubChem (10293553) PubChem (71173031) PubChem (11003580) PubChem (11025495) PubChem (11058155) PubChem (11463329) PubChem (11868624) PubChem (11868625) PubChem (11869366) PubChem (11869367) PubChem (11869368) PubChem (11869369) PubChem (12120344) PubChem (12156156) PubChem (12303135) PubChem (12303148) PubChem (12303156) PubChem (12303159) PubChem (12303160) PubChem (16219173) PubChem (16758052) PubChem (40477506) PubChem (40557614) PubChem (42579431) PubChem (42579432) PubChem (176980071) PubChem (45044259) PubChem (18640088) PubChem (1715243) PubChem (1715244) PubChem (23423981) PubChem (49853509) PubChem (44654663) PubChem (46937002) PubChem (59274407) PubChem (50990013) PubChem (68311425) PubChem (68311398) PubChem (143173313) PubChem (177156123) PubChem (5997) PubChem (1551269) PubChem (90070115) PubChem (52934537) PubChem (117965027) PubChem (6432564) PubChem (6710666) PubChem (124146240) PubChem (56621683) PubChem (7059399) PubChem (124897607) PubChem (124896959) PubChem (10861996) PubChem (132837164) PubChem (11834483) PubChem (11888915) PubChem (11888914) PubChem (57915018) PubChem (57939063) PubChem (138967089) PubChem (58428240) PubChem (58445498) PubChem (139566851) PubChem (58663286) PubChem (15939944) PubChem (59450329) PubChem (59628412) PubChem (171828367) PubChem (173516975) PubChem (59965215) PubChem (71234641) PubChem (59993755) PubChem (60001463) PubChem (66634651) PubChem (68055877) PubChem (68166463) PubChem (68315613) PubChem (70795838) PubChem (70797612) PubChem (70954610) PubChem (70957185) PubChem (71463909) PubChem (89951918) PubChem (90224410) PubChem (91298236) PubChem (101624109) PubChem (124225449) PubChem (124429284) PubChem (124909223) PubChem (124909224) PubChem (124909225) PubChem (130459183) PubChem (131992107) PubChem (139568882) PubChem (142983773) PubChem (144054483) PubChem (144209461) PubChem (144331236) PubChem (144808354) PubChem (145053568) PubChem (145157652) PubChem (145215073) PubChem (145230478) PubChem (146320991) PubChem (147857230) PubChem (154993519) PubChem (158603858) PubChem (162906452) PubChem (162906453) PubChem (162906454) PubChem (162906455) PubChem (162906456) PubChem (162906457) PubChem (163255768) PubChem (163389210) PubChem (164665303) PubChem (166553771) PubChem (166712004) PubChem (170116175) PubChem (171764280) PubChem (171817101) PubChem (171817104) PubChem (174285573)
4	E (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5	F, G, H (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	3	Chemie (1PE) PubChem (62551)
6	J (B)	PALMITIC ACID	non-polymer		256.4	1	Chemie (PLM)

Sequence modifications

A, B: 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, B: 1001 - 1040 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 1007	Met 29	engineered mutation

A, B: 1066 - 1106 (UniProt: P0ABE7)

PDB	External Database	Details
Gly 1041	-	linker
Ser 1042	-	linker
Gly 1043	-	linker
Ser 1044	-	linker
Gly 1045	-	linker
Ile 1098	Arg 120	engineered mutation
Ile 1102	His 124	engineered mutation
Gly 1106	Arg 128	engineered mutation

A, B: 313 - 403 (UniProt: P28223)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83862.1
Non-Polymers*	Number of molecules	9
	Total formula weight	2630.9
All*	Total formula weight	86493.0

*Water molecules are not included.