MolNFT v2 · #31564 · protein
A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats
2AYR · Estrogen receptor: “A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries…”. X-ray diffraction at 1.9, 1 ligand (L4G), 2 pockets (best druggability 0.77). MolNFT v2 #31564 on…
- PDB
- 2AYR
- Type
- protein
- Length
- 246 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- Homo sapiens
- Molecule
- Estrogen receptor
- UniProt
- P03372
- Ligands
- L4G
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · resolution 1.9 · 1 distinct chain · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 246 | 70% helix, 4% strand | P03372 |
Ligands and binding sites
- L4G · 6-(4-methylsulfonyl-phenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 407 | 0.77 | 0.85 | 42 | L4G |
| 2 | 104 | 0.62 | 0.87 | 19 | empty |
Compared structures
- 2AYR · A serm designed for the treatment of uterine leiomyoma with unique tissue specificity for… · the same entry in another collection · chain A against A, TM-score 1.00
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 P03372
- Elsewhere: RCSB PDB 2AYR · PDBe 2AYR · UniProt P03372
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