Research workbench
Crystal structure of the mouse CAR/RXR LBD heterodimer bound to TCPOBOP and 9cRA and a TIF2 peptide containg the third LXXLL motifs
Analyse Crystal structure of the mouse CAR/RXR LBD heterodimer bound to TCPOBOP and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XLS
- Type
- protein
- Length
- 2,032 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.96
- Source
- Homo sapiens; Mus musculus; SYNTHETIC CONSTRUCT
- Molecule
- Retinoic acid receptor RXR-alpha; Orphan nuclear receptor NR1I3; Nuclear receptor…
- UniProt
- P19793, O35627, Q9WUI9
- Ligands
- 9CR, TCD
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · resolution 2.96 · 4 distinct chains · 64% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Retinoic acid receptor RXR-alpha | protein | 232 | 62% helix, 3% strand | P19793 |
| E, F, G, H | Orphan nuclear receptor NR1I3 | protein | 242 | 69% helix, 4% strand | O35627 |
| I, J, K, L | Nuclear receptor coactivator 2 | protein | 16 | 31% helix, 0% strand | Q9WUI9 |
| M, N, O, P | Nuclear receptor coactivator 2 | protein | 18 | 39% helix, 0% strand | Q9WUI9 |
Ligands and binding sites
- 9CR · (9cis)-retinoic acid · ligand · 4 copies · chains A, B, C, D
- TCD · 3,5-dichloro-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}pyridine · ligand · 4 copies · chains E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.85 | 0.97 | 31 | TCD |
| 2 | 230 | 0.85 | 0.96 | 36 | TCD |
| 3 | 220 | 0.84 | 0.96 | 29 | TCD |
| 4 | 218 | 0.83 | 0.95 | 30 | TCD |
| 5 | 784 | 0.82 | 0.85 | 65 | empty |
Interfaces
23 interfaces between chains.
- A–E · 1280 Ų buried · 20 hydrogen bonds · protein-protein
- B–F · 1278 Ų buried · 22 hydrogen bonds · protein-protein
- D–H · 1264 Ų buried · 15 hydrogen bonds · protein-protein
- C–G · 1257 Ų buried · 18 hydrogen bonds · protein-protein
- E–G · 795 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 1XLS · Crystal structure of the mouse CAR/RXR lbd heterodimer bound to tcpobop and 9CRA and a… · the same entry in another collection · chain P against P, 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 O35627
- Every structure of UniProt Q9WUI9
- Elsewhere: RCSB PDB 1XLS · PDBe 1XLS · UniProt P19793 · UniProt O35627 · UniProt Q9WUI9
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