MolNFT v1 · #98917 · protein
Crystal structure of tr-alpha bound to T4 in a second site
4LNX · Thyroid hormone receptor alpha: “Crystal structure of tr-alpha bound to T4 in a second site”. X-ray diffraction, 2 ligands (T44, T3), 4 pockets (best druggability 0.83). MolNFT v1 #98917 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4LNX
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thyroid hormone receptor alpha
- UniProt
- P10827
- Ligands
- T44, T3
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thyroid hormone receptor alpha | protein | 263 | 65% helix, 5% strand | P10827 |
Ligands and binding sites
- T44 · 3,5,3',5'-tetraiodo-L-thyronine · ligand · chains A
- T3 · 3,5,3'triiodothyronine · 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 | 191 | 0.83 | 0.97 | 29 | T3 |
| 2 | 100 | 0.41 | 0.77 | 19 | empty |
| 3 | 77 | 0.33 | 0.75 | 18 | empty |
| 4 | 63 | 0.29 | 0.74 | 17 | empty |
Modifications
Observed in the structure: 4 modified (artifact).
Compared structures
- 4LNX · Crystal structure of TR-alpha bound to T4 in a second site · 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 0.88
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 4LNX · PDBe 4LNX · UniProt P10827
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