4DKL

Crystal structure of the mu-opioid receptor bound to a morphinan antagonist

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Mu-type opioid receptor, lysozyme chimera	polymer	464	52778.9	1	UniProt (P42866) UniProt (P00720) Pfam (PF00001) Pfam (PF00959)	Mus musculus (mouse bacteriophage T4)	Mu-opioid receptor, M-OR-1, MOR-1, Endolysin, Lysis protein, Muramidase
2	B (A)	methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate	non-polymer		456.5	1	Chemie (BF0) PubChem (44276305) PubChem (54187796) PubChem (137348997)
3	C, D, E, F, G... (A)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
4	O (A)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR) PubChem (16219173) PubChem (16758052) PubChem (304) PubChem (176980071) PubChem (191463) PubChem (368063) PubChem (369319) PubChem (18640088) PubChem (1715243) PubChem (40477506) PubChem (40557614) PubChem (42579431) PubChem (42579432) PubChem (1715244) PubChem (23423981) PubChem (45044259) PubChem (638019) PubChem (49853509) PubChem (50990013) PubChem (44654663) PubChem (52934537) PubChem (56621683) PubChem (1549081) PubChem (1553803) PubChem (46937002) PubChem (57915018) PubChem (57939063) PubChem (58428240) PubChem (58445498) PubChem (58663286) PubChem (59450329) PubChem (59628412) PubChem (59965215) PubChem (71234641) PubChem (59993755) PubChem (60001463) PubChem (66634651) PubChem (59274407) PubChem (5283629) PubChem (5284644) PubChem (68055877) PubChem (68166463) PubChem (68315613) PubChem (5315842) PubChem (70795838) PubChem (70797612) PubChem (70954610) PubChem (70957185) PubChem (71463909) PubChem (68311425) PubChem (68311398) PubChem (143173313) PubChem (177156123) PubChem (6419195) PubChem (5997) PubChem (6994560) PubChem (7055705) PubChem (7055706) PubChem (7059398) PubChem (7059400) PubChem (7059635) PubChem (7103033) PubChem (7182477) PubChem (7182478) PubChem (89951918) PubChem (90224410) PubChem (91298236) PubChem (9909206) PubChem (10045721) PubChem (71168115) PubChem (10134774) PubChem (10293553) PubChem (71173031) PubChem (11003580) PubChem (11025495) PubChem (11058155) PubChem (11463329) PubChem (1551269) PubChem (90070115) 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 (117965027) PubChem (6432564) PubChem (101624109) PubChem (6710666) PubChem (124146240) PubChem (7059399) PubChem (124897607) PubChem (124896959) PubChem (10861996) PubChem (132837164) PubChem (11834483) PubChem (11888915) PubChem (11888914) PubChem (124225449) PubChem (124429284) PubChem (124909223) PubChem (124909224) PubChem (124909225) PubChem (138967089) PubChem (139566851) PubChem (130459183) PubChem (131992107) PubChem (15939944) 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 (171828367) PubChem (173516975) 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)
5	P, Q (A)	[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate	non-polymer		356.5	2	Chemie (MPG) PubChem (17754086) PubChem (44201365) PubChem (46936801) PubChem (56987534) PubChem (5168638) PubChem (6289863) PubChem (11681934)
6	R (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE) PubChem (62551)
7	S (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL) PubChem (312)
8	T (A)	water	water		18.0	37	Chemie (HOH)

Sequence modifications

A: 52 - 263 (UniProt: P42866)
A: 1002 - 1161 (UniProt: P00720)

PDB	External Database	Details
Asn 1020	Asp 20	engineered mutation
Thr 1054	Cys 54	engineered mutation
Ala 1097	Cys 97	engineered mutation

A: 270 - 360 (UniProt: P42866)

PDB	External Database	Details
Pro 361	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	52778.9
Non-Polymers*	Number of molecules	18
	Total formula weight	2982.8
All*	Total formula weight	55761.7

*Water molecules are not included.