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A galpha P-loop mutation prevents transition to the activated state: G42R bound to RGS14 goloco

Analyse A galpha P-loop mutation prevents transition to the activated state: G42R bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3QI2
Type
protein
Length
695 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(I) subunit alpha-1; Regulator of G-protein signaling…
EC
3.6.5.1
UniProt
P63096, O43566
Ligands
GDP, SO4
Pockets
8 · best druggability 0.84

Structure

x-ray diffraction · 4 distinct chains · 48% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(I) subunit alpha-1 (EC 3.6.5.1)protein31851% helix, 13% strandP63096
BGuanine nucleotide-binding protein G(I) subunit alpha-1 (EC 3.6.5.1)protein31448% helix, 11% strandP63096
CRegulator of G-protein signaling 14protein3333% helix, 0% strandO43566
DRegulator of G-protein signaling 14protein3043% helix, 0% strandO43566

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, C, B, D
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17230.840.8786GDP
25530.760.8470GDP
33810.700.8243empty
44220.680.8053empty
51400.520.8028empty

Interfaces

5 interfaces between chains.

  • A–C · 1808 Ų buried · 26 hydrogen bonds · protein-protein
  • B–D · 1674 Ų buried · 23 hydrogen bonds · protein-protein
  • A–B · 719 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 273 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 19 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3QI2 · A Galpha P-loop mutation prevents transition to the activated state: G42R bound to RGS14… · the same entry in another collection · chain D against D, TM-score 1.00
  • P63096 · 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 0.95
  • O43566 · AlphaFold monomer V2.0 prediction for regulator of G-protein signaling 14 (O43566) · a predicted model of the same protein · chain C against A, TM-score 0.43

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