MolNFT v1 · #57025 · protein
Crystal structure of the human rxr alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide
2ZXZ · Retinoic acid receptor rxr-alpha: “Crystal structure of the human rxr alpha ligand binding domain bound to a synthetic agonist compound and a…”. X-ray diffraction, 1 ligand (P26), 3 pockets (best druggability 0.84). MolNFT v1 #57025…
- PDB
- 2ZXZ
- Type
- protein
- Length
- 224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor rxr-alpha; GRIP1 from nuclear receptor coactivator 2
- UniProt
- P19793, Q15596
- Ligands
- P26
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-alpha | protein | 213 | 68% helix, 3% strand | P19793 |
| B | GRIP1 from nuclear receptor coactivator 2 | protein | 11 | 55% helix, 0% strand | Q15596 |
Ligands and binding sites
- P26 · 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid · 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 | 214 | 0.84 | 0.97 | 33 | P26 |
| 2 | 70 | 0.50 | 0.84 | 11 | empty |
| 3 | 130 | 0.40 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 574 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2ZXZ · Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic… · 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 P19793
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 2ZXZ · PDBe 2ZXZ · UniProt P19793 · UniProt Q15596
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