MolNFT v1 · #178839 · protein
Cryo-EM structure of human proton-activated chloride channel pac at pH 8
7JNA: “Cryo-EM structure of human proton-activated chloride channel pac at pH 8”. Electron microscopy, 1 ligand (NAG), 5 pockets (best druggability 0.83). MolNFT v1 #178839 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JNA
- Type
- protein
- Length
- 834 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proton-activated chloride channel
- UniProt
- Q9H813
- Ligands
- NAG
- Pockets
- 5 · best druggability 0.83
Structure
electron microscopy · 1 distinct chain · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Proton-activated chloride channel | protein | 278 | 30% helix, 25% strand | Q9H813 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1133 | 0.83 | 0.84 | 131 | empty |
| 2 | 351 | 0.82 | 0.91 | 43 | empty |
| 3 | 276 | 0.65 | 0.81 | 37 | empty |
| 4 | 520 | 0.63 | 0.76 | 45 | empty |
| 5 | 180 | 0.61 | 0.83 | 32 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1516 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 1515 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 1508 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 glycan, 3 disulfide (N-glycosylation, disulfide).
Compared structures
- 7JNA · Cryo-EM structure of human proton-activated chloride channel PAC at pH 8 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9H813 · AlphaFold monomer V2.0 prediction for proton-activated chloride channel (Q9H813) · a predicted model of the same protein · chain A against A, TM-score 0.79
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 Q9H813
- Elsewhere: RCSB PDB 7JNA · PDBe 7JNA · UniProt Q9H813
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