MolNFT v1 · #81695 · protein + RNA
Structure of the C13.18 RNA aptamer in complex with G protein-coupled receptor kinase 2
3UZT · Beta-adrenergic receptor kinase 1: “Structure of the C13.18 RNA aptamer in complex with G protein-coupled receptor kinase 2”. X-ray diffraction, 1 ligand (MG), 9 pockets (best druggability 0.50). MolNFT v1 #81695 on GenesisL1: 3D…
- PDB
- 3UZT
- Type
- protein + RNA
- Length
- 592 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-adrenergic receptor kinase 1; C13.18 RNA aptamer
- EC
- 2.7.11.15
- UniProt
- P21146
- Ligands
- MG
- Pockets
- 9 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-adrenergic receptor kinase 1 (EC 2.7.11.15) | protein | 586 | 42% helix, 14% strand | P21146 |
| B | C13.18 RNA aptamer | rna | 6 | — | — |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.50 | 0.85 | 19 | MG |
| 2 | 50 | 0.48 | 0.86 | 15 | empty |
| 3 | 208 | 0.47 | 0.74 | 23 | empty |
| 4 | 71 | 0.43 | 0.81 | 20 | empty |
| 5 | 154 | 0.39 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 525 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 3UZT · Structure of the C13.18 RNA Aptamer in Complex with G Protein-Coupled Receptor Kinase 2 · the same entry in another collection · chain A against A, TM-score 1.00
- P21146 · AlphaFold monomer V2.0 prediction for beta-adrenergic receptor kinase 1 (P21146) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P21146
- Elsewhere: RCSB PDB 3UZT · PDBe 3UZT · UniProt P21146
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