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Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist JNJ47965567
Analyse Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5U1X
- Type
- protein
- Length
- 321 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.201
- Source
- Ailuropoda melanoleuca
- Molecule
- P2X purinoceptor
- UniProt
- G1M6C4
- Ligands
- 7RV, NAG
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · resolution 3.201 · 1 distinct chain · 21% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P2X purinoceptor | protein | 321 | 21% helix, 48% strand | G1M6C4 |
Ligands and binding sites
- 7RV · N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.47 | 0.76 | 24 | empty |
| 2 | 91 | 0.38 | 0.75 | 15 | empty |
| 3 | 67 | 0.38 | 0.79 | 16 | empty |
Modifications
Observed in the structure: 5 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 5U1X · Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist… · the same entry in another collection · chain A against A, TM-score 1.00
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 G1M6C4
- Elsewhere: RCSB PDB 5U1X · PDBe 5U1X · UniProt G1M6C4
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