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MolNFT v1 · #168720 · protein

Proton-pumping mutant of mastigocladopsis repens rhodopsin chloride pump

6WP8 · Proton-pumping rhodopsin chloride pump: “Proton-pumping mutant of mastigocladopsis repens rhodopsin chloride pump”. X-ray diffraction, 1 ligand (RET), 2 pockets (best druggability 0.80). MolNFT v1 #168720 on GenesisL1: 3D structure…

PDB
6WP8
Type
protein
Length
222 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proton-pumping rhodopsin chloride pump
Ligands
RET
Pockets
2 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 82% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProton-pumping rhodopsin chloride pumpprotein22282% helix, 3% strand—

Ligands and binding sites

  • RET · Retinal · ligand · chains A
  • BOG · octyl beta-D-glucopyranoside · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.800.9724RET
2780.640.9123empty

Modifications

Observed in the structure: 1 cofactor (retinal Schiff base).

Compared structures

  • 6WP8 · Proton-pumping mutant of Mastigocladopsis repens rhodopsin chloride pump · the same entry in another collection · chain A against A, TM-score 1.00

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