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MolNFT v1 · #119639 · protein

The crystal structure of light-driven chloride pump clr (T102D) mutant at pH 4.5.

5G2C · Chloride pumping rhodopsin: “The crystal structure of light-driven chloride pump clr (T102D) mutant at pH 4.5.”. X-ray diffraction, 3 ligands (OLA, RET, CL), 1 pocket (best druggability 0.72). MolNFT v1 #119639 on GenesisL1: 3D…

PDB
5G2C
Type
protein
Length
268 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
1 · best druggability 0.72

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AChloride pumping rhodopsinprotein26881% helix, 3% strandW8VZW3

Ligands and binding sites

  • OLA · Oleic acid · ligand · 8 copies · chains A
  • RET · Retinal · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.720.9123RET

Modifications

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

Compared structures

  • 5G2C · The crystal structure of light-driven chloride pump ClR (T102D) mutant at pH 4.5. · the same entry in another collection · chain A against A, TM-score 1.00

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