MolNFT v2 · #226216 · protein
ExoC110T class 1 channelrhodopsin
8ZAP · C110T-class1: “ExoC110T class 1 channelrhodopsin”. Electron microscopy at 2.6, 2 ligands (RET, K), 10 pockets (best druggability 0.85). MolNFT v2 #226216 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8ZAP
- Type
- protein
- Length
- 776 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.6
- Source
- Hyphochytrium catenoides
- Molecule
- C110T-class1
- Ligands
- RET, K
- Pockets
- 10 · best druggability 0.85
Structure
electron microscopy · resolution 2.6 · 2 distinct chains · 68% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | C110T-class1 | protein | 258 | 67% helix, 2% strand | — |
| B, C | C110T-class1 | protein | 259 | 68% helix, 2% strand | — |
Ligands and binding sites
- RET · Retinal · ligand · 3 copies · chains A, B, C
- K · Potassium ion · metal · 24 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 987 | 0.85 | 0.86 | 108 | K |
| 2 | 148 | 0.81 | 0.97 | 23 | RET |
| 3 | 158 | 0.81 | 0.96 | 27 | RET |
| 4 | 144 | 0.80 | 0.97 | 25 | RET |
| 5 | 232 | 0.57 | 0.78 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1147 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 1146 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1095 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 cofactor (retinal Schiff base).
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 8ZAP · PDBe 8ZAP
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