5X7D

Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric 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)	Chimera protein of Beta-2 adrenergic receptor and Lysozyme	polymer	500	56601.4	1	UniProt (P07550) UniProt (D9IEF7) Pfam (PF00001) Pfam (PF00959) UniProt (by SIFTS) (P00720)	Homo sapiens (Human)	Beta-2 adrenoreceptor,Beta-2 adrenoceptor
2	B, C (A)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	2	Chemie (EPE)
3	D, E (A)	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR)
4	F (A)	4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide	non-polymer		647.6	1	Chemie (8VS)
5	G (A)	(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol	non-polymer		298.4	1	Chemie (CAU)
6	H (A)	1,4-BUTANEDIOL	non-polymer		90.1	1	Chemie (BU1)
7	I (A)	ACETAMIDE	non-polymer		59.1	1	Chemie (ACM)
8	J (A)	water	water		18.0	5	Chemie (HOH)

Sequence modifications

A: 1 - 230 (UniProt: P07550)

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

A: 1002 - 263 (UniProt: D9IEF7)

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

A: 264 - 365 (UniProt: P07550)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	56601.4
Non-Polymers*	Number of molecules	8
	Total formula weight	2345.1
All*	Total formula weight	58946.5

*Water molecules are not included.