Research workbench
Activation of the human nuclear xenobiotic receptor pxr by the reverse transcriptase-targeted anti-HIV drug pnu-142721
Analyse Activation of the human nuclear xenobiotic receptor pxr by the reverse… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3R8D
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor subfamily 1 group I member 2
- EC
- 2.3.1.48
- UniProt
- O75469
- Ligands
- PNU
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor subfamily 1 group I member 2 (EC 2.3.1.48) | protein | 264 | 56% helix, 8% strand | O75469 |
Ligands and binding sites
- PNU · 6-chloro-2-(1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 554 | 0.84 | 0.89 | 60 | PNU |
| 2 | 77 | 0.35 | 0.76 | 16 | empty |
Compared structures
- 3R8D · Activation of the Human Nuclear Xenobiotic Receptor PXR by the Reverse… · 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 3R8D · PDBe 3R8D · UniProt O75469
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