Research workbench
Human estrogen receptor alpha ligand-binding domain in complex with obcp-1M-G and a glucocorticoid receptor interacting protein 1 nr box II peptide
Analyse Human estrogen receptor alpha ligand-binding domain in complex with obcp-1M-G… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2G44
- Type
- protein
- Length
- 492 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
- T3O
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen receptor | protein | 237 | 70% helix, 4% strand | P03372 |
| B | Estrogen receptor | protein | 237 | 66% helix, 4% strand | P03372 |
| C, D | Nuclear receptor coactivator 2 | protein | 9 | 67% helix, 0% strand | Q15596 |
Ligands and binding sites
- T3O · 4-[(1S,2R,5S)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.85 | 0.97 | 24 | T3O |
| 2 | 199 | 0.83 | 0.96 | 22 | T3O |
| 3 | 93 | 0.61 | 0.88 | 17 | empty |
| 4 | 81 | 0.59 | 0.88 | 17 | empty |
| 5 | 224 | 0.57 | 0.79 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1925 Ų buried · 30 hydrogen bonds · protein-protein
- B–D · 510 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 488 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (artifact).
Compared structures
- 2G44 · Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-1M-G and A… · 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 2G44 · PDBe 2G44 · UniProt P03372 · UniProt Q15596
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.