Research workbench
Crystal structure of the heterodimeric complex of human RGS16 and activated gi alpha 1
Analyse Crystal structure of the heterodimeric complex of human RGS16 and activated gi… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2IK8
- Type
- protein
- Length
- 869 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, O15492
- Ligands
- ALF, GDP, MG, SO4
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(I), alpha-1 subunit | protein | 310 | 51% helix, 15% strand | P63096 |
| B | Regulator of G-protein signaling 16 | protein | 120 | 73% helix, 0% strand | O15492 |
| C | Guanine nucleotide-binding protein G(I), alpha-1 subunit | protein | 309 | 51% helix, 13% strand | P63096 |
| D | Regulator of G-protein signaling 16 | protein | 130 | 75% helix, 0% strand | O15492 |
Ligands and binding sites
- ALF · Tetrafluoroaluminate ion · ligand · 2 copies · chains A, C
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, C
- MG · Magnesium ion · metal · 2 copies · chains A, C
- SO4 · Sulfate ion · ion · 8 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 808 | 0.75 | 0.79 | 60 | empty |
| 2 | 479 | 0.74 | 0.83 | 49 | ALF, MG, GDP |
| 3 | 578 | 0.73 | 0.81 | 41 | empty |
| 4 | 470 | 0.72 | 0.82 | 58 | ALF, MG, GDP |
| 5 | 880 | 0.72 | 0.77 | 81 | SO4 |
Interfaces
5 interfaces between chains.
- C–D · 856 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 766 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 443 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 215 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 119 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2IK8 · Crystal structure of the heterodimeric complex of human RGS16 and activated Gi alpha 1 · 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 C against A, TM-score 0.99
- O15492 · AlphaFold monomer V2.0 prediction for regulator of G-protein signaling 16 (O15492) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O15492
- Elsewhere: RCSB PDB 2IK8 · PDBe 2IK8 · UniProt P63096 · UniProt O15492
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