MolNFT v1 · #15636 · protein
Thyroid receptor alpha in complex with an agonist selective for thyroid receptor BETA1
1NAV · Hormone receptor alpha 1, THRA1: “Thyroid receptor alpha in complex with an agonist selective for thyroid receptor BETA1”. X-ray diffraction, 2 ligands (IH5, SO4), 3 pockets (best druggability 0.76). MolNFT v1 #15636 on GenesisL1…
- 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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