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The crystal structure of light-driven chloride pump clr at pH 4.5

Analyse The crystal structure of light-driven chloride pump clr at pH 4.5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5G54
Type
protein
Length
269 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chloride pumping rhodopsin
UniProt
W8VZW3
Ligands
OLA, RET, CL
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 81% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChloride pumping rhodopsinprotein26981% helix, 3% strandW8VZW3

Ligands and binding sites

  • OLA · Oleic acid · ligand · 8 copies · chains A
  • RET · Retinal · ligand · chains A
  • CL · Chloride ion · ion · 2 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11120.730.9322RET
2550.310.7511OLA

Modifications

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

Compared structures

  • 5G54 · The crystal structure of light-driven chloride pump ClR at pH 4.5 · the same entry in another collection · chain A against A, TM-score 1.00

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