MolNFT v1 · #62217 · protein
Crystal structure of rxralpha ligand binding domain in complex with tributyltin and a coactivator fragment
3E94 · Retinoic acid receptor rxr-alpha: “Crystal structure of rxralpha ligand binding domain in complex with tributyltin and a coactivator fragment”. X-ray diffraction, 1 ligand (TBY), 2 pockets (best druggability 0.82). MolNFT v1 #62217…
- PDB
- 3E94
- Type
- protein
- Length
- 221 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 peptide
- UniProt
- P19793, Q15596
- Ligands
- TBY
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Retinoic acid receptor rxr-alpha | protein | 211 | 71% helix, 3% strand | P19793 |
| B | Nuclear receptor coactivator 2 peptide | protein | 10 | 80% helix, 0% strand | Q15596 |
Ligands and binding sites
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 | 279 | 0.82 | 0.93 | 38 | TBY, ACT |
| 2 | 136 | 0.39 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 583 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3E94 · Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a… · 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 3E94 · PDBe 3E94 · UniProt P19793 · UniProt Q15596
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