5X7D: Beta2 adrenoceptor

Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist. Determined by X-ray diffraction at 2.7 Å resolution. Released 16 Aug 2017.

Method: X-ray diffraction
Resolution: 2.7 Å
Organisms: Homo sapiens, Enterobacteria phage T4
Chains: 1
Atoms: 3,669
Mol. weight: 58.95 kDa
Ligands: CLR, 8VS, ACM, BU1
Released: 16 Aug 2017

Explore 5X7D in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5X7D contains 28 α-helices and 6 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 28 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	34-60	27
α-helix	62-64	3
α-helix	67-81	15
α-helix	82-86	5
α-helix	87-95	9
α-helix	102-135	34
α-helix	147-170	24
α-helix	179-186	8
α-helix	197-204	8
α-helix	205-209	5
α-helix	210-228	19
α-helix	1003-1009	7
β-strand	1014-1015	2	1
β-strand	1016	1	2
β-strand	1017-1019	3	1
β-strand	1025-1028	4	1
β-strand	1031-1034	4	1
α-helix	1039-1050	12
β-strand	1057	1	2
α-helix	1060-1080	21
α-helix	1084-1089	6
α-helix	1093-1106	14
α-helix	1108-1111	4
α-helix	1115-1122	8
α-helix	1126-1134	9
α-helix	1137-1141	5
α-helix	1143-1155	13
α-helix	1159-1161	3
α-helix	267-298	32
α-helix	305-316	12
α-helix	317-320	4
α-helix	321-325	5
α-helix	326-328	3
α-helix	330-339	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Chimera protein of Beta-2 adrenergic receptor and Lysozyme	A	protein	500	Homo sapiens, Enterobacteria phage T4	P00720, P07550 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5X7D_1 Chimera protein of Beta-2 adrenergic receptor and Lysozyme (chains A)
DYKDDDAMGQPGNGSAFLLAPNRSHAPDHDVTQQRDEVWVVGMGIVMSLIVLAIVFGNVL
VITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSID
VLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHW
YRATHQEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLNIF
EMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAE
KLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQK
RWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKFCLKEHKALKTLGIIMGTFTLC
WLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRS
SLKAYGNGYSSNGNTGEQSG

Ligands and cofactors

ID	Name	Formula	Copies
CLR	Cholesterol	C27 H46 O	2
8VS	4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methy…	C34 H39 Br N4 O4	1
ACM	Acetamide	C2 H5 N O	1
BU1	1,4-butanediol	C4 H10 O2	1
CAU	(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol	C18 H22 N2 O2	1

Water and common crystallization additives (EPE) are not listed.

Primary citation

Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure. Liu, X., Ahn, S., Kahsai, A.W. et al. Nature (2017) 548:480-484. DOI 10.1038/nature23652 · PubMed

Other PDB entries of the same protein (UniProt P00720), best resolution first:

2O7A 0.84 Å, T4 lysozyme C-terminal fragment
5JDT 1.0 Å, Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K
7LOE 1.01 Å, T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene
7LOD 1.02 Å, T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene
7LX8 1.03 Å, T4 lysozyme mutant L99A
5XPF 1.04 Å, High-resolution X-ray structure of the T26H mutant of T4 lysozyme
6BG3 1.05 Å, Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl…
7LOF 1.05 Å, T4 lysozyme mutant L99A in complex with 2-butylthiophene
7LX6 1.05 Å, T4 lysozyme mutant L99A
7LX7 1.05 Å, T4 lysozyme mutant L99A
1SWY 1.06 Å, Use of a Halide Binding Site to Bypass the 1000-atom Limit to Ab initio Structure…
1SWZ 1.06 Å, Use of an ion-binding site to bypass the 1000-atom limit to ab initio structure…

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