Research workbench
Crystal structure of the hpxr-lbd in complex with estradiol and heptachlor endo-epoxide
Analyse Crystal structure of the hpxr-lbd in complex with estradiol and heptachlor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AXL
- Type
- protein
- Length
- 277 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor subfamily 1 group I member 2
- UniProt
- O75469
- Ligands
- EST, S65
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor subfamily 1 group I member 2 | protein | 277 | 60% helix, 8% strand | O75469 |
Ligands and binding sites
- EST · Estradiol · ligand · chains A
- S65 · heptachlor endo-epoxide · ligand · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · 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 | 484 | 0.85 | 0.92 | 45 | EST, S65 |
| 2 | 73 | 0.31 | 0.74 | 15 | empty |
| 3 | 51 | 0.27 | 0.74 | 14 | empty |
Compared structures
- 7AXL · Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide · 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 0.98
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 O75469
- Elsewhere: RCSB PDB 7AXL · PDBe 7AXL · UniProt O75469
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