Research workbench
RORgamma Ligand Binding Domain
Analyse RORgamma Ligand Binding Domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NWT
- Type
- protein
- Length
- 468 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.35
- Source
- Homo sapiens
- Molecule
- Nuclear receptor ROR-gamma
- UniProt
- P51449
- Ligands
- L7P
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · resolution 2.35 · 2 distinct chains · 68% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ROR-gamma | protein | 233 | 69% helix, 4% strand | P51449 |
| C | Nuclear receptor ROR-gamma | protein | 235 | 68% helix, 4% strand | P51449 |
Ligands and binding sites
- L7P · 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.83 | 0.93 | 35 | L7P |
| 2 | 1006 | 0.83 | 0.83 | 101 | L7P |
| 3 | 52 | 0.67 | 0.95 | 19 | empty |
| 4 | 192 | 0.49 | 0.76 | 21 | empty |
| 5 | 144 | 0.49 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–C · 703 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6NWT · Rorgamma ligand binding domain · 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 6NWT · PDBe 6NWT · UniProt P51449
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