Research workbench
Structure of BETA2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist
Analyse Structure of BETA2 adrenoceptor bound to carazolol and an intracellular… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5X7D
- Type
- protein
- Length
- 440 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chimera protein of beta-2 adrenergic receptor and lysozyme
- UniProt
- P07550, D9IEF7
- Ligands
- CLR, 8VS, CAU, ACM
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chimera protein of beta-2 adrenergic receptor and lysozyme | protein | 440 | 74% helix, 3% strand | P07550, D9IEF7 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 2 copies · chains A
- 8VS · 4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide · ligand · chains A
- CAU · (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol · ligand · chains A
- ACM · Acetamide · ligand · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A
- BU1 · 1,4-butanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 451 | 0.77 | 0.85 | 45 | CAU |
| 2 | 362 | 0.70 | 0.82 | 30 | EPE, 8VS |
| 3 | 56 | 0.58 | 0.91 | 15 | empty |
| 4 | 226 | 0.51 | 0.76 | 27 | empty |
| 5 | 133 | 0.47 | 0.78 | 15 | empty |
Modifications
Observed in the structure: 2 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 5X7D · Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric… · the same entry in another collection · chain A against A, TM-score 1.00
- P07550 · AlphaFold monomer V2.0 prediction for beta-2 adrenergic receptor (P07550) · a predicted model of the same protein · chain A against A, TM-score 0.66
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P07550
- Every structure of UniProt D9IEF7
- Elsewhere: RCSB PDB 5X7D · PDBe 5X7D · UniProt P07550 · UniProt D9IEF7
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