MolNFT v1 · #49621 · protein
Structure of an acid-sensing ion channel 1 at 1.9 a resolution and low pH
2QTS: “Structure of an acid-sensing ion channel 1 at 1.9 a resolution and low pH”. X-ray diffraction, 3 ligands (NAG, GLC, CL), 20 pockets (best druggability 0.83). MolNFT v1 #49621 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2QTS
- Type
- protein
- Length
- 2,503 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acid-sensing ion channel
- UniProt
- Q1XA76
- Ligands
- NAG, GLC, CL
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 6 distinct chains · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acid-sensing ion channel | protein | 417 | 36% helix, 25% strand | Q1XA76 |
| B | Acid-sensing ion channel | protein | 420 | 36% helix, 25% strand | Q1XA76 |
| C | Acid-sensing ion channel | protein | 418 | 37% helix, 25% strand | Q1XA76 |
| D | Acid-sensing ion channel | protein | 415 | 36% helix, 26% strand | Q1XA76 |
| E | Acid-sensing ion channel | protein | 421 | 36% helix, 25% strand | Q1XA76 |
| F | Acid-sensing ion channel | protein | 412 | 36% helix, 25% strand | Q1XA76 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B, C, D, E, F
- GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A, C, B
- CL · Chloride ion · ion · 6 copies · chains A, C, B, D, F, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 298 | 0.83 | 0.94 | 41 | empty |
| 2 | 298 | 0.82 | 0.92 | 52 | empty |
| 3 | 1199 | 0.81 | 0.82 | 107 | empty |
| 4 | 341 | 0.81 | 0.91 | 61 | empty |
| 5 | 271 | 0.81 | 0.93 | 39 | empty |
Interfaces
8 interfaces between chains.
- A–C · 2666 Ų buried · 46 hydrogen bonds · protein-protein
- E–F · 2579 Ų buried · 45 hydrogen bonds · protein-protein
- D–F · 2562 Ų buried · 48 hydrogen bonds · protein-protein
- A–B · 2546 Ų buried · 39 hydrogen bonds · protein-protein
- B–C · 2479 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 disulfide, 12 glycan (disulfide, N-glycosylation).
Compared structures
- 2QTS · Structure of an acid-sensing ion channel 1 at 1.9 A resolution and low pH · the same entry in another collection · chain F against F, TM-score 1.00
- Q1XA76 · AlphaFold monomer V2.0 prediction for acid-sensing ion channel 1 (Q1XA76) · a predicted model of the same protein · chain F against A, TM-score 0.92
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 Q1XA76
- Elsewhere: RCSB PDB 2QTS · PDBe 2QTS · UniProt Q1XA76
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