MolNFT v2 · #219202 · protein
Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009
8RQO · Isoform Alpha-1 of Thyroid hormone receptor alpha: “Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009”. X-ray diffraction at 2.74, 2 ligands (A1H2J, SO4), 5 pockets (best…
- PDB
- 8RQO
- Type
- protein
- Length
- 257 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.74
- Source
- Homo sapiens
- Molecule
- Isoform Alpha-1 of Thyroid hormone receptor alpha
- UniProt
- P10827
- Ligands
- A1H2J, SO4
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · resolution 2.74 · 1 distinct chain · 66% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform Alpha-1 of Thyroid hormone receptor alpha | protein | 257 | 66% helix, 4% strand | P10827 |
Ligands and binding sites
- A1H2J · 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione · ligand · chains A
- SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.82 | 0.97 | 28 | A1H2J |
| 2 | 142 | 0.47 | 0.77 | 20 | SO4 |
| 3 | 105 | 0.38 | 0.75 | 17 | empty |
| 4 | 88 | 0.36 | 0.75 | 18 | empty |
| 5 | 60 | 0.31 | 0.75 | 12 | empty |
Compared structures
- P10827 · AlphaFold monomer V2.0 prediction for thyroid hormone receptor alpha (P10827) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 P10827
- Elsewhere: RCSB PDB 8RQO · PDBe 8RQO · UniProt P10827
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