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MolNFT v1 · #190321 · protein

The structure of the GPCR-G-protein complex

7WU9 · Prostaglandin E2 receptor EP3 subtype: “The structure of the GPCR-G-protein complex”. Electron microscopy, 10 pockets (best druggability 0.82). MolNFT v1 #190321 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7WU9
Type
protein
Length
1,030 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Prostaglandin E2 receptor EP3 subtype; Guanine nucleotide-binding protein G(I) subunit…
UniProt
P43115, P63096, P62873, P59768
Pockets
10 · best druggability 0.82

Structure

electron microscopy · 5 distinct chains · 34% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
RProstaglandin E2 receptor EP3 subtypeprotein27481% helix, 2% strandP43115
AGuanine nucleotide-binding protein G(I) subunit alpha-1protein13544% helix, 22% strandP63096
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3368% helix, 45% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5360% helix, 0% strandP59768
SSCFV16protein2325% helix, 47% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110240.820.8384empty
29390.820.83105empty
38700.750.7994empty
44040.700.8157empty
51890.570.8027empty

Interfaces

6 interfaces between chains.

  • B–G · 1836 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1010 Ų buried · 7 hydrogen bonds · protein-protein
  • R–A · 853 Ų buried · 3 hydrogen bonds · protein-protein
  • A–S · 573 Ų buried · 3 hydrogen bonds · protein-protein
  • B–S · 437 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7WU9 · Cryo-EM structure of the human EP3-Gi signaling complex · the same entry in another collection · chain S against S, TM-score 1.00
  • P62873 · 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 0.99
  • P43115 · AlphaFold monomer V2.0 prediction for prostaglandin E2 receptor EP3 subtype (P43115) · a predicted model of the same protein · chain R against A, TM-score 0.92
  • P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.90
  • 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 0.71

Analyse

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