Research workbench
Crystal structure of a methylated BETA2 adrenergic receptor-Fab complex
Analyse Crystal structure of a methylated BETA2 adrenergic receptor-Fab complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KJ6
- Type
- protein
- Length
- 653 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-2 adrenergic receptor; Fab light chain; Fab heavy chain
- UniProt
- P07550
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-2 adrenergic receptor | protein | 222 | 70% helix, 0% strand | P07550 |
| L | Fab light chain | protein | 214 | 5% helix, 48% strand | — |
| H | Fab heavy chain | protein | 217 | 6% helix, 48% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 506 | 0.73 | 0.81 | 50 | SO4 |
| 2 | 699 | 0.67 | 0.75 | 62 | empty |
| 3 | 221 | 0.58 | 0.79 | 33 | empty |
| 4 | 73 | 0.44 | 0.81 | 16 | empty |
| 5 | 109 | 0.44 | 0.78 | 21 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1829 Ų buried · 18 hydrogen bonds · protein-protein
- A–H · 498 Ų buried · 7 hydrogen bonds · protein-protein
- A–L · 368 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 3KJ6 · Crystal structure of a Methylated beta2 Adrenergic Receptor-Fab complex · 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 0.93
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
- Elsewhere: RCSB PDB 3KJ6 · PDBe 3KJ6 · UniProt P07550
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