MolNFT v1 · #189996 · protein
2.02 ångström cryo-EM structure of the pump-like channelrhodopsin chrmine
7W9W: “2.02 ångström cryo-EM structure of the pump-like channelrhodopsin chrmine”. Electron microscopy, 3 ligands (PLM, CLR, RET), 3 pockets (best druggability 0.79). MolNFT v1 #189996 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7W9W
- Type
- protein
- Length
- 270 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chrmine
- Ligands
- PLM, CLR, RET
- Pockets
- 3 · best druggability 0.79
Structure
electron microscopy · 1 distinct chain · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chrmine | protein | 270 | 74% helix, 1% strand | — |
Ligands and binding sites
- PLM · Palmitic acid · ligand · 5 copies · chains A
- CLR · Cholesterol · ligand · 2 copies · chains A
- RET · Retinal · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.79 | 0.96 | 22 | RET |
| 2 | 157 | 0.65 | 0.86 | 28 | empty |
| 3 | 91 | 0.48 | 0.82 | 18 | empty |
Modifications
Observed in the structure: 1 cofactor (retinal Schiff base).
Compared structures
- 7W9W · 2.02 angstrom cryo-EM structure of the pump-like channelrhodopsin ChRmine · 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
- Elsewhere: RCSB PDB 7W9W · PDBe 7W9W
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