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Studies of a constitutively active G-alpha subunit provide insights into the mechanism of G protein activation.

Analyse Studies of a constitutively active G-alpha subunit provide insights into the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3V00
Type
protein
Length
1,046 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(T) subunit alpha-1/ guanine nucleotide-binding…
UniProt
P04695, P10824
Ligands
GDP
Pockets
16 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CGuanine nucleotide-binding protein G(T) subunit alpha-1/ guanine nucleotide-binding protein G(I) subunit alpha-1 chimeric proteinprotein35345% helix, 12% strandP04695, P10824
BGuanine nucleotide-binding protein G(T) subunit alpha-1/ guanine nucleotide-binding protein G(I) subunit alpha-1 chimeric proteinprotein34244% helix, 13% strandP04695, P10824
AGuanine nucleotide-binding protein G(T) subunit alpha-1/ guanine nucleotide-binding protein G(I) subunit alpha-1 chimeric proteinprotein35148% helix, 13% strandP04695, P10824

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 3 copies · chains C, B, A

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

Pockets

16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18770.770.8083empty
25960.760.8364GDP
35630.740.8269GDP
42560.720.8738GDP
54550.670.7963empty

Interfaces

3 interfaces between chains.

  • C–B · 1214 Ų buried · 17 hydrogen bonds · protein-protein
  • B–A · 1103 Ų buried · 9 hydrogen bonds · protein-protein
  • C–A · 146 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3V00 · Studies of a constitutively active G-alpha subunit provide insights into the mechanism of… · the same entry in another collection · chain C against C, TM-score 1.00
  • P10824 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain B against A, TM-score 0.93
  • P04695 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(T) subunit… · a predicted model of the same protein · chain B against A, TM-score 0.91

Analyse

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