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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
4EKC
Type
protein
Length
890 residues
Chains
4
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, MG
Pockets
6 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CGuanine nucleotide-binding protein G(Q) subunit alpha (EC 3.6.5.1)protein31749% helix, 14% strandP21279
B, DRegulator of G-protein signaling 2protein12866% helix, 0% strandP41220

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, C
  • ALF · Tetrafluoroaluminate ion · ligand · 2 copies · chains A, C
  • MG · Magnesium ion · metal · 2 copies · chains A, C

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18710.840.8684GDP, ALF, MG
28670.840.8684GDP, ALF, MG
34560.670.7943empty
44050.670.7940empty
5690.380.7815empty

Interfaces

3 interfaces between chains.

  • C–D · 1203 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1192 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 724 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4EKC · 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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