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Crystal structure of the active G-protein-coupled receptor opsin in complex with a C-terminal peptide derived from the galpha subunit of transducin

Analyse Crystal structure of the active G-protein-coupled receptor opsin in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DQB
Type
protein
Length
337 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhodopsin; 11MERIC peptide form guanine nucleotide-binding protein G(T) subunit alpha-1
UniProt
P02699, P04695
Ligands
PLM, NAG, BMA, MAN
Pockets
4 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARhodopsinprotein32670% helix, 4% strandP02699
B11MERIC peptide form guanine nucleotide-binding protein G(T) subunit alpha-1protein1155% helix, 0% strandP04695

Ligands and binding sites

  • PLM · Palmitic acid · ligand · 2 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • BMA · beta-D-mannopyranose · sugar
  • MAN · alpha-D-mannopyranose · sugar
  • BOG · octyl beta-D-glucopyranoside · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12270.840.9634empty
21250.560.8219empty
3970.530.8324empty
4530.290.7413empty

Interfaces

1 interface between chains.

  • A–B · 674 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 glycan, 2 lipid, 1 disulfide (N-glycosylation, palmitoylation, disulfide).

Compared structures

  • 3DQB · Crystal structure of the active G-protein-coupled receptor opsin in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
  • P02699 · AlphaFold monomer V2.0 prediction for rhodopsin (P02699) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P04695 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(T) subunit… · a predicted model of the same protein · chain B against A, TM-score 0.69

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