MolNFT v1 · #24279 · protein
Crystal structure of the human liver X receptor beta ligand binding domain in complex with a synthetic agonist
1UPW · Oxysterols receptor lxr-beta: “Crystal structure of the human liver X receptor beta ligand binding domain in complex with a synthetic agonist”. X-ray diffraction, 1 ligand (444), 3 pockets (best druggability 0.83). MolNFT v1 #24279…
- PDB
- 1UPW
- Type
- protein
- Length
- 232 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxysterols receptor lxr-beta
- UniProt
- P55055
- Ligands
- 444
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxysterols receptor lxr-beta | protein | 232 | 68% helix, 3% strand | P55055 |
Ligands and binding sites
- 444 · N-(2,2,2-trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl) ethyl]phenyl}benzenesulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 404 | 0.83 | 0.91 | 47 | 444 |
| 2 | 117 | 0.37 | 0.74 | 19 | empty |
| 3 | 74 | 0.34 | 0.75 | 16 | empty |
Compared structures
- 1UPW · Crystal structure of the human Liver X receptor beta ligand binding domain in complex… · 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 A against A, TM-score 0.96
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 1UPW · PDBe 1UPW · UniProt P55055
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