MolNFT v1 · #172588 · protein
Crystal structure of rxr beta lbd in complexes with palmitic acid and grip-1 peptide
7A78 · Retinoic acid receptor rxr-beta: “Crystal structure of rxr beta lbd in complexes with palmitic acid and grip-1 peptide”. X-ray diffraction, 2 ligands (PLM, CL), 3 pockets (best druggability 0.83). MolNFT v1 #172588 on GenesisL1: 3D…
- PDB
- 7A78
- Type
- protein
- Length
- 225 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor rxr-beta; Nuclear receptor coactivator 2
- UniProt
- P28702, Q15596
- Ligands
- PLM, CL
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-beta | protein | 212 | 70% helix, 3% strand | P28702 |
| B | Nuclear receptor coactivator 2 | protein | 13 | 62% helix, 0% strand | Q15596 |
Ligands and binding sites
- PLM · Palmitic acid · ligand · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.83 | 0.97 | 26 | PLM |
| 2 | 99 | 0.51 | 0.82 | 15 | empty |
| 3 | 111 | 0.39 | 0.75 | 23 | EDO |
Interfaces
1 interface between chains.
- A–B · 584 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7A78 · Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P28702 · AlphaFold monomer V2.0 prediction for retinoic acid receptor rxr-beta (P28702) · a predicted model of the same protein · chain A 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 P28702
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 7A78 · PDBe 7A78 · UniProt P28702 · UniProt Q15596
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