Research workbench
Estrogen receptor alpha ligand binding domain Y537S mutant in complex with ethoxytriphenylethylene and grip peptide
Analyse Estrogen receptor alpha ligand binding domain Y537S mutant in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5T1Z
- Type
- protein
- Length
- 501 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor; Nuclear receptor coactivator 2
- UniProt
- P03372, Q15596
- Ligands
- Q97
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 240 | 69% helix, 4% strand | P03372 |
| B | Estrogen receptor | protein | 238 | 68% helix, 4% strand | P03372 |
| C | Nuclear receptor coactivator 2 | protein | 10 | 50% helix, 0% strand | Q15596 |
| D | Nuclear receptor coactivator 2 | protein | 13 | 38% helix, 0% strand | Q15596 |
Ligands and binding sites
- Q97 · 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 240 | 0.85 | 0.96 | 29 | Q97 |
| 2 | 227 | 0.82 | 0.94 | 29 | Q97 |
| 3 | 92 | 0.65 | 0.90 | 21 | empty |
| 4 | 95 | 0.62 | 0.89 | 18 | empty |
| 5 | 115 | 0.51 | 0.81 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1726 Ų buried · 24 hydrogen bonds · protein-protein
- B–D · 602 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 558 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5T1Z · Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with… · 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 0.99
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
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 5T1Z · PDBe 5T1Z · UniProt P03372 · UniProt Q15596
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