MolNFT v1 · #102114 · protein
Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6- hydroxy-[1,1'-biphenyl]-3-YL)ACRYLIC acid and a fragment of the coactivator TIF2
4OC7 · Retinoic acid receptor rxr-alpha: “Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6- hydroxy-[1,1'-biphenyl]-3-YL)ACRYLIC acid and…”. X-ray diffraction, 1 ligand (2QO), 3 pockets (best druggability 0.82). MolNFT v1…
- PDB
- 4OC7
- Type
- protein
- Length
- 223 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
- 2QO
- Pockets
- 3 · best druggability 0.82
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 | 213 | 68% helix, 3% strand | P19793 |
| B | Nuclear receptor coactivator 2 | protein | 10 | 80% helix, 0% strand | Q15596 |
Ligands and binding sites
- 2QO · (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.82 | 0.96 | 25 | 2QO |
| 2 | 111 | 0.55 | 0.84 | 17 | empty |
| 3 | 122 | 0.43 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 529 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4OC7 · Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-y… · 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 4OC7 · PDBe 4OC7 · UniProt P19793 · UniProt Q15596
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