3NY8

Crystal structure of the human beta2 adrenergic receptor in complex with the inverse agonist ICI 118,551

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Beta-2 adrenergic receptor, Lysozyme	polymer	490	55957.9	1	UniProt (P07550) UniProt (P00720) Pfam (PF00001) Pfam (PF00959) In PDB	Homo sapiens	BETA-2 ADRENORECEPTOR, BETA-2 ADRENOCEPTOR, LYSIS PROTEIN, MURAMIDASE, ENDOLYSIN
2	A	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR)
3	A	(2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol	non-polymer		277.4	1	Chemie (JRZ)
4	A	OLEIC ACID	non-polymer		282.5	1	Chemie (OLA)
5	A	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	2	Chemie (OLC)
6	A	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
7		water	water		18.0	22	Chemie (HOH)

Sequence modifications

A: 1 - 230 (UniProt: P07550)

PDB	External Database	Details
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Ala 0	-	expression tag
Arg 16	Gly 16	variant
Gln 27	Glu 27	variant
Trp 122	Glu 122	engineered mutation
Glu 187	Asn 187	engineered mutation

A: 1002 - 1161 (UniProt: P00720)

PDB	External Database	Details
Thr 1054	Cys 54	engineered mutation
Ala 1097	Cys 97	engineered mutation

A: 263 - 348 (UniProt: P07550)

PDB	External Database	Details
His 349	-	expression tag
His 350	-	expression tag
His 351	-	expression tag
His 352	-	expression tag
His 353	-	expression tag
His 354	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	55957.9
Non-Polymers*	Number of molecules	7
	Total formula weight	2196.4
All*	Total formula weight	58154.3

*Water molecules are not included.