MolNFT v1 · #135555 · protein
Crystal structure of the ATP-gated P2X7 ion channel bound to ATP and allosteric antagonist A804598
5U2H · P2X purinoceptor: “Crystal structure of the ATP-gated P2X7 ion channel bound to ATP and allosteric antagonist A804598”. X-ray diffraction, 3 ligands (7S1, ATP, NAG), 9 pockets (best druggability 0.59). MolNFT v1 #135555 on…
- PDB
- 5U2H
- Type
- protein
- Length
- 606 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P2X purinoceptor
- UniProt
- G1M6C4
- Ligands
- 7S1, ATP, NAG
- Pockets
- 9 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P2X purinoceptor | protein | 307 | 18% helix, 47% strand | G1M6C4 |
| B | P2X purinoceptor | protein | 299 | 16% helix, 40% strand | G1M6C4 |
Ligands and binding sites
- 7S1 · N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine · ligand · 2 copies · chains A, B
- ATP · Adenosine-5'-triphosphate · ligand · chains B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.59 | 0.80 | 39 | empty |
| 2 | 144 | 0.48 | 0.78 | 24 | empty |
| 3 | 124 | 0.48 | 0.79 | 22 | empty |
| 4 | 126 | 0.47 | 0.78 | 23 | empty |
| 5 | 135 | 0.41 | 0.75 | 26 | empty |
Modifications
Observed in the structure: 9 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 5U2H · Crystal structure of the ATP-gated P2X7 ion channel bound to ATP and allosteric… · 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 5U2H · PDBe 5U2H · UniProt G1M6C4
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