Research workbench
Crystal structure of orphan nuclear receptor rorgamma in complex with natural ligand
Analyse Crystal structure of orphan nuclear receptor rorgamma in complex with natural… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KYT
- Type
- protein
- Length
- 255 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma; Nuclear receptor coactivator 2
- UniProt
- P51449, Q15596
- Ligands
- HC2
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 243 | 70% helix, 4% strand | P51449 |
| C | Nuclear receptor coactivator 2 | protein | 12 | 58% helix, 0% strand | Q15596 |
Ligands and binding sites
- HC2 · 20-hydroxycholesterol · 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 | 399 | 0.84 | 0.91 | 34 | HC2 |
| 2 | 105 | 0.49 | 0.81 | 19 | empty |
| 3 | 72 | 0.38 | 0.78 | 16 | empty |
| 4 | 69 | 0.33 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–C · 464 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3KYT · Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand · 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
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 3KYT · PDBe 3KYT · UniProt P51449 · UniProt Q15596
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