MolNFT v1 · #69715 · protein
Crystal structure of orphan nuclear receptor rorgamma in complex with natural ligand
3KYT · Nuclear receptor ror-gamma: “Crystal structure of orphan nuclear receptor rorgamma in complex with natural ligand”. X-ray diffraction, 1 ligand (HC2), 4 pockets (best druggability 0.84). MolNFT v1 #69715 on GenesisL1: 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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