MolNFT v1 · #18478 · protein
Human lxr beta hormone receptor complexed with T0901317 complex
1PQ9 · Oxysterols receptor lxr-beta: “Human lxr beta hormone receptor complexed with T0901317 complex”. X-ray diffraction, 2 ligands (BNS, 44B), 16 pockets (best druggability 0.85). MolNFT v1 #18478 on GenesisL1: 3D structure, binding…
- PDB
- 1PQ9
- Type
- protein
- Length
- 920 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxysterols receptor lxr-beta
- UniProt
- P55055
- Ligands
- BNS, 44B
- Pockets
- 16 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 71% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxysterols receptor lxr-beta | protein | 232 | 69% helix, 4% strand | P55055 |
| B | Oxysterols receptor lxr-beta | protein | 238 | 69% helix, 4% strand | P55055 |
| C | Oxysterols receptor lxr-beta | protein | 231 | 70% helix, 4% strand | P55055 |
| D | Oxysterols receptor lxr-beta | protein | 219 | 74% helix, 3% strand | P55055 |
Ligands and binding sites
- BNS · benzenesulfonic acid · ligand · 4 copies · chains A, B, C, D
- 44B · 1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 219 | 0.85 | 0.97 | 25 | BNS, 44B |
| 2 | 244 | 0.85 | 0.97 | 28 | BNS, 44B |
| 3 | 234 | 0.85 | 0.96 | 26 | BNS, 44B |
| 4 | 406 | 0.83 | 0.91 | 38 | BNS, 44B |
| 5 | 1133 | 0.80 | 0.81 | 108 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1091 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1046 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 138 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1PQ9 · Human lxr beta hormone receptor complexed with T0901317 complex · the same entry in another collection · chain D against D, TM-score 1.00
- P55055 · AlphaFold monomer V2.0 prediction for oxysterols receptor lxr-beta (P55055) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 1PQ9 · PDBe 1PQ9 · UniProt P55055
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.