MolNFT v1 · #21421 · protein
Crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen
1S9Q: “Crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with…”. X-ray diffraction, 2 ligands (OHT, CHD), 9 pockets (best druggability 0.77). MolNFT v1 #21421 on GenesisL1: 3D structure…
- PDB
- 1S9Q
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen-related receptor gamma
- UniProt
- P62509
- Ligands
- OHT, CHD
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen-related receptor gamma | protein | 224 | 66% helix, 3% strand | P62509 |
| B | Estrogen-related receptor gamma | protein | 216 | 68% helix, 3% strand | P62509 |
Ligands and binding sites
- OHT · 4-hydroxytamoxifen · ligand · 2 copies · chains A, B
- CHD · Cholic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.77 | 0.90 | 29 | OHT |
| 2 | 215 | 0.74 | 0.88 | 23 | OHT |
| 3 | 145 | 0.67 | 0.88 | 21 | empty |
| 4 | 154 | 0.66 | 0.86 | 23 | empty |
| 5 | 340 | 0.63 | 0.79 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 1387 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 1S9Q · crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in… · the same entry in another collection · chain A against A, TM-score 1.00
- P62509 · AlphaFold monomer V2.0 prediction for estrogen-related receptor gamma (P62509) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 1S9Q · PDBe 1S9Q · UniProt P62509
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