Research workbench
Human estrogen receptor alpha ligand-binding domain in complex with estradiol and the E2#23 FN3 monobody
Analyse Human estrogen receptor alpha ligand-binding domain in complex with estradiol… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OCF
- Type
- protein
- Length
- 326 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen receptor; Fibronectin
- UniProt
- P03372, P02751
- Ligands
- EST
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 233 | 68% helix, 4% strand | P03372 |
| D | Fibronectin | protein | 93 | 6% helix, 51% strand | P02751 |
Ligands and binding sites
- EST · Estradiol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.84 | 0.98 | 22 | EST |
| 2 | 161 | 0.65 | 0.86 | 22 | empty |
| 3 | 340 | 0.62 | 0.78 | 53 | empty |
| 4 | 63 | 0.34 | 0.77 | 14 | empty |
| 5 | 63 | 0.29 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–D · 1034 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (artifact).
Compared structures
- 2OCF · Human estrogen receptor alpha ligand-binding domain in complex with estradiol and the… · 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
- P02751 · AlphaFold monomer V2.0 prediction for fibronectin (P02751) · a predicted model of the same protein · chain D against A, TM-score 0.83
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 P02751
- Elsewhere: RCSB PDB 2OCF · PDBe 2OCF · UniProt P03372 · UniProt P02751
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