Research workbench
Crystal structure of human G alpha I1 bound to a designed helical peptide derived from the goloco motif of RGS14
Analyse Crystal structure of human G alpha I1 bound to a designed helical peptide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XNS
- Type
- protein
- Length
- 710 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(I) subunit alpha-1; Regulator of G-protein signaling…
- EC
- 3.6.5.1
- UniProt
- P63096, O43566
- Ligands
- GDP, SRT, SO4
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Guanine nucleotide-binding protein G(I) subunit alpha-1 (EC 3.6.5.1) | protein | 316 | 47% helix, 13% strand | P63096 |
| C, D | Regulator of G-protein signaling 14 | protein | 39 | 51% helix, 0% strand | O43566 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, C, B, D
- SRT · S,R meso-tartaric acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, C, B, D
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 | 514 | 0.75 | 0.83 | 66 | GDP |
| 2 | 527 | 0.74 | 0.83 | 66 | GDP |
| 3 | 302 | 0.59 | 0.77 | 42 | SRT |
| 4 | 259 | 0.57 | 0.78 | 37 | SRT |
| 5 | 152 | 0.51 | 0.79 | 27 | empty |
Interfaces
3 interfaces between chains.
- B–D · 2010 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 2008 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 584 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2XNS · Crystal Structure Of Human G alpha i1 Bound To A Designed Helical Peptide Derived From… · 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 A against A, TM-score 0.95
- O43566 · AlphaFold monomer V2.0 prediction for regulator of G-protein signaling 14 (O43566) · a predicted model of the same protein · chain C against A, TM-score 0.39
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 O43566
- Elsewhere: RCSB PDB 2XNS · PDBe 2XNS · UniProt P63096 · UniProt O43566
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