7BU7

Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Endolysin,Endolysin,Beta-1 adrenergic receptor chimera	polymer	516	57625.1	1	UniProt (D9IEF7) Pfam (PF00959) Pfam (PF00001) UniProt (by SIFTS) (P08588) In PDB	Enterobacteria phage T4	Lysis protein,Lysozyme,Muramidase
2	B	camelid antibody fragment	polymer	128	14020.5	1		Camelidae mixed library
3	C, D	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
4	A	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	A	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
6	A	(2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate	non-polymer		300.4	1	Chemie (1WV)
7	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
8	A	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
9	A	8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one	non-polymer		370.4	1	Chemie (P0G)
10	A	HEXAETHYLENE GLYCOL	non-polymer		282.3	1	Chemie (P6G)
11		water	water		18.0	25	Chemie (HOH)

Sequence modifications

A: 892 - 1051 (UniProt: D9IEF7)

PDB	External Database	Details
Asp 884	-	expression tag
Tyr 885	-	expression tag
Lys 886	-	expression tag
Asp 887	-	expression tag
Asp 888	-	expression tag
Asp 889	-	expression tag
Asp 890	-	expression tag
Ala 891	-	expression tag
Thr 944	Cys 54	engineered mutation
Ala 987	Cys 97	engineered mutation
Ala 1052	-	linker
Ala 1053	-	linker

A: 1054 - 1399 (PDB: 7BU7)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71645.6
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	12
	Total formula weight	2177.5
All*	Total formula weight	74507.8

*Water molecules are not included.