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Crystal structure of the cell-free synthesized membrane protein, acetabularia rhodopsin I, at 1.80 ångström

Analyse Crystal structure of the cell-free synthesized membrane protein, acetabularia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5AX1
Type
protein
Length
235 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhodopsin I
UniProt
G3CEP6
Ligands
OLB, D10, D12, RET, C14, R16
Pockets
3 · best druggability 0.79

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ARhodopsin Iprotein23581% helix, 3% strandG3CEP6

Ligands and binding sites

  • OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · 2 copies · chains A
  • D10 · Decane · ligand · 2 copies · chains A
  • D12 · Dodecane · ligand · 2 copies · chains A
  • RET · Retinal · ligand · chains A
  • C14 · Tetradecane · ligand · chains A
  • R16 · Hexadecane · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11270.790.9723RET
21460.620.8523empty
3520.380.8013empty

Modifications

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

Compared structures

  • 5AX1 · Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin… · the same entry in another collection · chain A against A, TM-score 1.00

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