Research workbench
Human thyroid hormone receptor beta ligand binding domain in complex with KB131084
Analyse Human thyroid hormone receptor beta ligand binding domain in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2J4A
- 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
- OEF
- 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 beta-1 | protein | 250 | 65% helix, 5% strand | P10828 |
Ligands and binding sites
- OEF · 3,5-dibromo-4-(3-isopropyl-phenoxy)benzoic 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 | 167 | 0.83 | 0.98 | 26 | OEF |
| 2 | 108 | 0.45 | 0.79 | 20 | empty |
| 3 | 79 | 0.33 | 0.74 | 14 | empty |
| 4 | 65 | 0.28 | 0.73 | 18 | empty |
Compared structures
- 2J4A · Human Thyroid hormone receptor beta ligand binding domain in complex with KB131084 · 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 0.97
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 2J4A · PDBe 2J4A · UniProt P10828
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