Research workbench
Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions
Analyse Helix-stabilized cyclic peptides as selective inhibitors of steroid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PCG
- Type
- protein
- Length
- 493 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor; Peptide inhibitor
- UniProt
- P03372
- Ligands
- EST
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 69% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 232 | 69% helix, 4% strand | P03372 |
| B | Estrogen receptor | protein | 243 | 70% helix, 4% strand | P03372 |
| E, F | Peptide inhibitor | protein | 9 | 56% helix, 0% strand | — |
Ligands and binding sites
- EST · Estradiol · 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 | 193 | 0.85 | 0.98 | 21 | EST |
| 2 | 195 | 0.85 | 0.98 | 22 | EST |
| 3 | 105 | 0.66 | 0.90 | 20 | empty |
| 4 | 107 | 0.64 | 0.88 | 22 | empty |
| 5 | 281 | 0.54 | 0.76 | 37 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1662 Ų buried · 17 hydrogen bonds · protein-protein
- A–E · 460 Ų buried · 5 hydrogen bonds · protein-protein
- B–F · 457 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 d-amino (D-amino acid).
Compared structures
- 1PCG · Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator… · 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 0.98
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 P03372
- Elsewhere: RCSB PDB 1PCG · PDBe 1PCG · UniProt P03372
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