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MolNFT v1 · #161736 · protein

Rhodopsin-gi protein complex

6QNO · Guanine nucleotide-binding protein G(I) subunit alpha-1: “Rhodopsin-gi protein complex”. Electron microscopy, 2 ligands (RET, NAG), 17 pockets (best druggability 0.84). MolNFT v1 #161736 on GenesisL1: 3D structure, binding sites and…

PDB
6QNO
Type
protein
Length
1,332 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(I) subunit alpha-1; Guanine nucleotide-binding…
UniProt
P63096, P62871, P02698, P02699
Ligands
RET, NAG
Pockets
17 · best druggability 0.84

Structure

electron microscopy · 6 distinct chains · 25% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(I) subunit alpha-1protein21233% helix, 8% strandP63096
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3121% helix, 46% strandP62871
GGuanine nucleotide-binding protein G(T) subunit gamma-T1protein3650% helix, 0% strandP02698
LFab antibody fragment light chainprotein2175% helix, 43% strand—
HFab antibody fragment heavy chainprotein2215% helix, 51% strand—
RRhodopsinprotein33467% helix, 3% strandP02699

Ligands and binding sites

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

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

Pockets

17 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17520.840.8788RET
27460.840.8762empty
36580.710.7987empty
46400.690.7766empty
52410.680.8441empty

Interfaces

8 interfaces between chains.

  • L–H · 1800 Ų buried · 10 hydrogen bonds · protein-protein
  • B–G · 1338 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 1131 Ų buried · 9 hydrogen bonds · protein-protein
  • A–R · 1131 Ų buried · 13 hydrogen bonds · protein-protein
  • B–H · 381 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 cofactor, 1 glycan (disulfide, retinal Schiff base, N-glycosylation).

Compared structures

  • 6QNO · Rhodopsin-Gi protein complex · the same entry in another collection · chain R against R, TM-score 1.00
  • P62871 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.97
  • P63096 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.72
  • P02698 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(T) subunit… · a predicted model of the same protein · chain G against A, TM-score 0.71

Analyse

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