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MolNFT v1 · #189914 · protein

Cryo-EM structure of the neuromedin U-bound neuromedin U receptor 1-gq protein complex

7W53 · Guanine nucleotide-binding protein G(Q) subunit alpha: “Cryo-EM structure of the neuromedin U-bound neuromedin U receptor 1-gq protein complex”. Electron microscopy, 12 pockets (best druggability 0.82). MolNFT v1 #189914 on…

PDB
7W53
Type
protein
Length
1,108 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(Q) subunit alpha; Guanine nucleotide-binding protein…
UniProt
P62873, P48645, P59768
Pockets
12 · best druggability 0.82

Structure

electron microscopy · 6 distinct chains · 35% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(Q) subunit alphaprotein21045% helix, 19% strand—
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3388% helix, 46% strandP62873
CNeuromedin-U-25protein70% helix, 0% strandP48645
ESCFV16protein2326% helix, 47% strand—
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5754% helix, 0% strandP59768
RNeuromedin-U receptor 1protein26482% helix, 2% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16700.820.8756empty
21920.770.9233empty
37600.720.7856empty
43730.660.8055empty
52130.550.7931empty

Interfaces

7 interfaces between chains.

  • B–G · 2135 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 1411 Ų buried · 20 hydrogen bonds · protein-protein
  • A–R · 1036 Ų buried · 8 hydrogen bonds · protein-protein
  • C–R · 778 Ų buried · 18 hydrogen bonds · protein-protein
  • A–E · 517 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7W53 · Cryo-EM structure of the neuromedin U-bound neuromedin U receptor 1-Gq protein complex · 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 1.00
  • 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 0.96
  • P48645 · AlphaFold monomer V2.0 prediction for neuromedin-U (P48645) · a predicted model of the same protein · chain C against A, TM-score 0.51

Analyse

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