Research workbench
Crystal structure of the orphan nuclear receptor ROR(GAMMA)T ligand- binding domain in complex with digoxin
Analyse Crystal structure of the orphan nuclear receptor ROR(GAMMA)T ligand- binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3B0W
- Type
- protein
- Length
- 432 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma
- UniProt
- P51449
- Ligands
- DGX
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 215 | 70% helix, 5% strand | P51449 |
| B | Nuclear receptor ror-gamma | protein | 217 | 72% helix, 5% strand | P51449 |
Ligands and binding sites
- DGX · Digoxin · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 457 | 0.80 | 0.87 | 35 | DGX |
| 2 | 457 | 0.79 | 0.86 | 31 | DGX |
| 3 | 216 | 0.52 | 0.77 | 21 | empty |
| 4 | 155 | 0.51 | 0.79 | 20 | empty |
| 5 | 53 | 0.38 | 0.80 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 26 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3B0W · Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in… · the same entry in another collection · chain A against A, TM-score 1.00
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 P51449
- Elsewhere: RCSB PDB 3B0W · PDBe 3B0W · UniProt P51449
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