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Nmhr light state structure at 7.5 ms (5 - 10 ms) after photoexcitation determined by serial millisecond crystallography

Analyse Nmhr light state structure at 7.5 ms (5 - 10 ms) after photoexcitation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7O8N
Type
protein
Length
265 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chloride pumping rhodopsin
UniProt
W8VZW3
Ligands
OLA, RET
Pockets
1 · best druggability 0.72

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AChloride pumping rhodopsinprotein26582% helix, 3% strandW8VZW3

Ligands and binding sites

  • OLA · Oleic acid · ligand · 6 copies · chains A
  • RET · Retinal · ligand · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · 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
11350.720.9123RET

Modifications

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

Compared structures

  • 7O8N · NmHR light state structure at 7.5 ms (5 - 10 ms) after photoexcitation determined by… · the same entry in another collection · chain A against A, TM-score 1.00

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