3NY9

Crystal structure of the human beta2 adrenergic receptor in complex with a novel inverse agonist

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	ethyl 4-({(2S)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)-3-methyl-1-benzofuran-2-carboxylate	non-polymer		335.4	1	Chemie (JSZ)
4	A	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)
5		water	water		18.0	8	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	4
	Total formula weight	1465.2
All*	Total formula weight	57423.2

*Water molecules are not included.