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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AC110T-class1protein25867% helix, 2% strand—
B, CC110T-class1protein25968% 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19870.850.86108K
21480.810.9723RET
31580.810.9627RET
41440.800.9725RET
52320.570.7828empty

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).

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