MolNFT v1 · #38321 · protein
Crystal structure of the heterodimeric complex of human RGS1 and activated gi alpha 1
2GTP · Guanine nucleotide-binding protein G(I), alpha-1 subunit: “Crystal structure of the heterodimeric complex of human RGS1 and activated gi alpha 1”. X-ray diffraction, 3 ligands (ALF, GDP, MG), 7 pockets (best druggability 0.75).…
- PDB
- 2GTP
- Type
- protein
- Length
- 891 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(I), alpha-1 subunit; Regulator of G-protein…
- UniProt
- P63096, Q08116
- Ligands
- ALF, GDP, MG
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(I), alpha-1 subunit | protein | 310 | 51% helix, 16% strand | P63096 |
| B | Guanine nucleotide-binding protein G(I), alpha-1 subunit | protein | 317 | 50% helix, 14% strand | P63096 |
| C, D | Regulator of G-protein signaling 1 | protein | 132 | 71% helix, 0% strand | Q08116 |
Ligands and binding sites
- ALF · Tetrafluoroaluminate ion · ligand · 2 copies · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 423 | 0.75 | 0.85 | 54 | ALF, MG, GDP |
| 2 | 526 | 0.74 | 0.82 | 52 | ALF, MG, GDP |
| 3 | 579 | 0.71 | 0.79 | 46 | empty |
| 4 | 609 | 0.67 | 0.77 | 39 | empty |
| 5 | 213 | 0.56 | 0.79 | 27 | empty |
Interfaces
3 interfaces between chains.
- B–C · 763 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 743 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 18 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2GTP · Crystal structure of the heterodimeric complex of human RGS1 and activated Gi alpha 1 · the same entry in another collection · chain A against A, 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 0.99
- Q08116 · AlphaFold monomer V2.0 prediction for regulator of G-protein signaling 1 (Q08116) · a predicted model of the same protein · chain C 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 P63096
- Every structure of UniProt Q08116
- Elsewhere: RCSB PDB 2GTP · PDBe 2GTP · UniProt P63096 · UniProt Q08116
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