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Structure of bacteriorhodopsin obtained from 20UM crystals by multi crystal data collection

Analyse Structure of bacteriorhodopsin obtained from 20UM crystals by multi crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A44
Type
protein
Length
209 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriorhodopsin
UniProt
P02945
Ligands
LI1, RET, HP6
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriorhodopsinprotein20978% helix, 5% strandP02945

Ligands and binding sites

  • LI1 · 1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol · ligand · 9 copies · chains A
  • RET · Retinal · ligand · chains A
  • HP6 · Heptane · ligand

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
11130.790.9823RET

Modifications

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

Compared structures

  • 5A44 · Structure of Bacteriorhodopsin obtained from 20um crystals by multi crystal data… · 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 1.00

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