Research workbench
Thyroid receptor alpha in complex with an agonist selective for thyroid receptor BETA1
Analyse Thyroid receptor alpha in complex with an agonist selective for thyroid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NAV
- Type
- protein
- Length
- 253 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hormone receptor alpha 1, THRA1
- UniProt
- P10827
- Ligands
- IH5, SO4
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hormone receptor alpha 1, THRA1 | protein | 253 | 65% helix, 4% strand | P10827 |
Ligands and binding sites
- IH5 · {3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid · 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
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 251 | 0.76 | 0.89 | 45 | IH5 |
| 2 | 78 | 0.47 | 0.83 | 24 | empty |
| 3 | 135 | 0.45 | 0.77 | 19 | SO4 |
Compared structures
- 1NAV · Thyroid Receptor Alpha in complex with an agonist selective for Thyroid Receptor Beta1 · the same entry in another collection · chain A against A, TM-score 1.00
- 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 1NAV · PDBe 1NAV · UniProt P10827
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