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Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation

Analyse Room temperature structure of bacteriorhodopsin from lipidic cubic phase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4X31
Type
protein
Length
229 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriorhodopsin
UniProt
P02945
Ligands
LI1, RET
Pockets
1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriorhodopsinprotein22973% helix, 3% strandP02945

Ligands and binding sites

  • LI1 · 1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol · ligand · 5 copies · chains A
  • RET · Retinal · ligand · 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
11260.800.9725RET

Modifications

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

Compared structures

  • 4X31 · Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P02945 · AlphaFold monomer V2.0 prediction for bacteriorhodopsin (P02945) · a predicted model of the same protein · chain A against A, TM-score 0.99

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