Research workbench
Crystal structure of nuclear receptor subfamily 1, group H, member 2 (lxrb) complexed with partial agonist
Analyse Crystal structure of nuclear receptor subfamily 1, group H, member 2 (lxrb)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RAK
- Type
- protein
- Length
- 468 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxysterols receptor lxr-beta
- UniProt
- P55055
- Ligands
- 652
- Pockets
- 4 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxysterols receptor lxr-beta | protein | 236 | 64% helix, 4% strand | P55055 |
| B | Oxysterols receptor lxr-beta | protein | 232 | 69% helix, 4% strand | P55055 |
Ligands and binding sites
- 652 · 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol · ligand · 2 copies · chains A, B
- BU1 · 1,4-butanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 368 | 0.87 | 0.95 | 43 | BU1, 652 |
| 2 | 1101 | 0.80 | 0.82 | 106 | BU1 |
| 3 | 292 | 0.72 | 0.85 | 29 | 652 |
| 4 | 87 | 0.66 | 0.92 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1872 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4RAK · Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed… · the same entry in another collection · chain A against A, TM-score 1.00
- P55055 · AlphaFold monomer V2.0 prediction for oxysterols receptor lxr-beta (P55055) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P55055
- Elsewhere: RCSB PDB 4RAK · PDBe 4RAK · UniProt P55055
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.