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Crystal structure of human pregnane X receptor ligand binding domain bound to SR12813
Analyse Crystal structure of human pregnane X receptor ligand binding domain bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ILH
- Type
- protein
- Length
- 270 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orphan nuclear receptor pxr
- UniProt
- O75469
- Ligands
- SRL
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Orphan nuclear receptor pxr | protein | 270 | 56% helix, 8% strand | O75469 |
Ligands and binding sites
- SRL · [2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(diethoxy-phosphoryl)-vinyl]-phosphonic acid diethlyl ester · ligand · 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 | 548 | 0.87 | 0.92 | 34 | SRL |
| 2 | 108 | 0.49 | 0.80 | 18 | empty |
| 3 | 65 | 0.28 | 0.74 | 15 | empty |
Compared structures
- 1ILH · Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813 · 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 1ILH · PDBe 1ILH · UniProt O75469
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