MolNFT v1 · #15638 · protein
Thyroid receptor BETA1 in complex with a beta-selective ligand
1NAX · Thyroid hormone receptor beta-1: “Thyroid receptor BETA1 in complex with a beta-selective ligand”. X-ray diffraction, 1 ligand (IH5), 4 pockets (best druggability 0.83). MolNFT v1 #15638 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1NAX
- Type
- protein
- Length
- 250 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thyroid hormone receptor beta-1
- UniProt
- P10828
- Ligands
- IH5
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thyroid hormone receptor beta-1 | protein | 250 | 65% helix, 4% strand | P10828 |
Ligands and binding sites
- IH5 · {3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.83 | 0.97 | 28 | IH5 |
| 2 | 123 | 0.46 | 0.79 | 18 | empty |
| 3 | 68 | 0.31 | 0.74 | 15 | empty |
| 4 | 71 | 0.29 | 0.73 | 17 | empty |
Compared structures
- 1NAX · Thyroid receptor beta1 in complex with a beta-selective ligand · the same entry in another collection · chain A against A, TM-score 1.00
- P10828 · AlphaFold monomer V2.0 prediction for thyroid hormone receptor beta (P10828) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P10828
- Elsewhere: RCSB PDB 1NAX · PDBe 1NAX · UniProt P10828
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