MolNFT v1 · #135536 · protein
Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist GW791343
5U1Y · P2X purinoceptor: “Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist GW791343”. X-ray diffraction, 2 ligands (7RS, NAG), 2 pockets (best druggability 0.40). MolNFT v1 #135536 on GenesisL1: 3D…
- PDB
- 5U1Y
- Type
- protein
- Length
- 317 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P2X purinoceptor
- UniProt
- G1M6C4
- Ligands
- 7RS, NAG
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P2X purinoceptor | protein | 317 | 19% helix, 48% strand | G1M6C4 |
Ligands and binding sites
- 7RS · N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.40 | 0.81 | 13 | empty |
| 2 | 119 | 0.39 | 0.74 | 22 | empty |
Modifications
Observed in the structure: 5 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 5U1Y · 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 5U1Y · PDBe 5U1Y · UniProt G1M6C4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.