MolNFT v1 · #99605 · protein
Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with (S) 4-methyl 9CUAB30 coactivator peptide grip-1
4M8E · Retinoic acid receptor rxr-alpha: “Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with (S) 4-methyl 9CUAB30…”. X-ray diffraction, 1 ligand (29V), 2 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 4M8E
- Type
- protein
- Length
- 225 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Retinoic acid receptor rxr-alpha; Nuclear receptor coactivator 2
- UniProt
- P19793, Q15596
- Ligands
- 29V
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-alpha | protein | 214 | 68% helix, 3% strand | P19793 |
| B | Nuclear receptor coactivator 2 | protein | 11 | 64% helix, 0% strand | Q15596 |
Ligands and binding sites
- 29V · (3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.84 | 0.96 | 38 | 29V |
| 2 | 155 | 0.42 | 0.74 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 592 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4M8E · CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH… · 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 4M8E · PDBe 4M8E · UniProt P19793 · UniProt Q15596
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