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Structure of human regulator of G protein signaling 2 (RGS2) in complex with murine galpha-Q(R183C)

Analyse Structure of human regulator of G protein signaling 2 (RGS2) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4EKD
Type
protein
Length
450 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(Q) subunit alpha; Regulator of G-protein signaling 2
EC
3.6.5.1
UniProt
P21279, P41220
Ligands
GDP, ALF, CO, MG, CL
Pockets
3 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 56% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(Q) subunit alpha (EC 3.6.5.1)protein31850% helix, 13% strandP21279
BRegulator of G-protein signaling 2protein13269% helix, 0% strandP41220

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • ALF · Tetrafluoroaluminate ion · ligand · chains A
  • CO · Cobalt (II) ion · metal · 2 copies · chains A
  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110800.840.85102GDP, ALF, MG
2510.430.8417empty
3830.360.7515empty

Interfaces

1 interface between chains.

  • A–B · 1113 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 4EKD · Structure of human regulator of G protein signaling 2 (RGS2) in complex with murine… · the same entry in another collection · chain A against A, TM-score 1.00
  • P21279 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(Q) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P41220 · AlphaFold monomer V2.0 prediction for regulator of G-protein signaling 2 (P41220) · a predicted model of the same protein · chain B against A, TM-score 0.98

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