GL1X · GenesisL1 explorer

MolNFT v1 · #149235 · protein

Crystal structure of the rhodopsin-mini-go complex

6FUF: “Crystal structure of the rhodopsin-mini-go complex”. X-ray diffraction, 2 ligands (RET, NAG), 6 pockets (best druggability 0.84). MolNFT v1 #149235 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6FUF
Type
protein
Length
497 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhodopsin; Guanine nucleotide-binding protein G(O) subunit alpha
UniProt
P02699, P09471
Ligands
RET, NAG
Pockets
6 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARhodopsinprotein31668% helix, 4% strandP02699
BGuanine nucleotide-binding protein G(O) subunit alphaprotein18136% helix, 20% strandP09471

Ligands and binding sites

  • RET · Retinal · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12590.840.9533RET
24050.590.7539empty
31570.580.8221empty
41500.560.8227empty
5740.400.7917empty

Interfaces

1 interface between chains.

  • A–B · 948 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide, 1 cofactor, 1 glycan (disulfide, retinal Schiff base, N-glycosylation).

Compared structures

  • 6FUF · Crystal structure of the rhodopsin-mini-Go complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P09471 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(O) subunit… · a predicted model of the same protein · chain B against A, TM-score 0.88

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