Research workbench
Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan
Analyse Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AXK
- Type
- protein
- Length
- 272 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Homo sapiens
- Molecule
- Nuclear receptor subfamily 1 group I member 2
- UniProt
- O75469
- Ligands
- EST, S68
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · resolution 2 · 1 distinct chain · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor subfamily 1 group I member 2 | protein | 272 | 61% helix, 8% strand | O75469 |
Ligands and binding sites
- EST · Estradiol · ligand · chains A
- S68 · endosulfan · ligand · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 549 | 0.86 | 0.91 | 44 | EST, S68 |
| 2 | 71 | 0.33 | 0.75 | 21 | empty |
| 3 | 51 | 0.31 | 0.77 | 12 | empty |
Compared structures
- 7AXK · Crystal structure of the hpxr-lbd in complex with estradiol and endosulfan · the same entry in another collection · chain A against A, TM-score 1.00
- O75469 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 1 group I member 2… · 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 O75469
- Elsewhere: RCSB PDB 7AXK · PDBe 7AXK · UniProt O75469
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