MolNFT v1 · #90470 · protein

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

4EKC · Guanine nucleotide-binding protein G(Q) subunit alpha: “Structure of human regulator of G protein signaling 2 (RGS2) in complex with murine galpha-Q(R183C)”. X-ray diffraction, 3 ligands (GDP, ALF, MG), 6 pockets (best druggability…

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).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Guanine nucleotide-binding protein G(Q) subunit alpha (EC 3.6.5.1)	protein	317	49% helix, 14% strand	P21279
B, D	Regulator of G-protein signaling 2	protein	128	66% helix, 0% strand	P41220

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	871	0.84	0.86	84	GDP, ALF, MG
2	867	0.84	0.86	84	GDP, ALF, MG
3	456	0.67	0.79	43	empty
4	405	0.67	0.79	40	empty
5	69	0.38	0.78	15	empty

Interfaces

3 interfaces between chains.

C–D · 1203 Å² buried · 14 hydrogen bonds · protein-protein
A–B · 1192 Å² buried · 12 hydrogen bonds · protein-protein
A–C · 724 Å² 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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P21279
Every structure of UniProt P41220
Elsewhere: RCSB PDB 4EKC · PDBe 4EKC · UniProt P21279 · UniProt P41220

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