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MolNFT v1 · #187162 · protein

EX4-D-ala bound to the glucagon-like peptide-1 RECEPTOR/G protein complex (conformer 2)

7S3I · Guanine nucleotide-binding protein G(S) subunit alpha…: “EX4-D-ala bound to the glucagon-like peptide-1 RECEPTOR/G protein complex (conformer 2)”. Electron microscopy, 14 pockets (best druggability 0.82). MolNFT v1 #187162 on…

PDB
7S3I
Type
protein
Length
1,023 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(S) subunit alpha isoforms short; Guanine…
UniProt
P63092, P62873, P59768, P43220
Pockets
14 · best druggability 0.82

Structure

electron microscopy · 5 distinct chains · 40% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(S) subunit alpha isoforms shortprotein23349% helix, 18% strandP63092
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3408% helix, 48% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5862% helix, 0% strandP59768
NNB35protein1287% helix, 44% strand—
RGlucagon-like peptide 1 receptorprotein26484% helix, 0% strandP43220

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16930.820.8652empty
29670.770.7973empty
39820.740.7776empty
43170.670.8246empty
51560.650.8627empty

Interfaces

6 interfaces between chains.

  • B–G · 2273 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 1471 Ų buried · 28 hydrogen bonds · protein-protein
  • A–N · 967 Ų buried · 14 hydrogen bonds · protein-protein
  • A–R · 916 Ų buried · 14 hydrogen bonds · protein-protein
  • B–N · 565 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 7S3I · Ex4-D-Ala bound to the glucagon-like peptide-1 receptor/g protein complex (conformer 2) · the same entry in another collection · chain R against R, 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
  • P43220 · AlphaFold monomer V2.0 prediction for glucagon-like peptide 1 receptor (P43220) · a predicted model of the same protein · chain R against A, TM-score 0.94
  • 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 0.93

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