Research workbench
Crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with diethylstilbestrol
Analyse Crystal structure of the ligand-binding domain of the estrogen-related receptor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1S9P
- Type
- protein
- Length
- 876 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen-related receptor gamma
- UniProt
- P62509
- Ligands
- DES
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 64% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen-related receptor gamma | protein | 215 | 64% helix, 3% strand | P62509 |
| B | Estrogen-related receptor gamma | protein | 217 | 64% helix, 3% strand | P62509 |
| C | Estrogen-related receptor gamma | protein | 219 | 63% helix, 3% strand | P62509 |
| D | Estrogen-related receptor gamma | protein | 225 | 66% helix, 3% strand | P62509 |
Ligands and binding sites
- DES · Diethylstilbestrol · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.82 | 0.98 | 22 | DES |
| 2 | 177 | 0.78 | 0.93 | 23 | DES |
| 3 | 163 | 0.78 | 0.94 | 23 | DES |
| 4 | 211 | 0.76 | 0.90 | 29 | DES |
| 5 | 736 | 0.72 | 0.78 | 70 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1407 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1361 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 828 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1S9P · crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in… · the same entry in another collection · chain D against D, TM-score 1.00
- P62509 · AlphaFold monomer V2.0 prediction for estrogen-related receptor gamma (P62509) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P62509
- Elsewhere: RCSB PDB 1S9P · PDBe 1S9P · UniProt P62509
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