MolNFT v1 · #12539 · protein
Crystal structure of human G[ALPHA]I1 bound to the goloco motif of RGS14
1KJY · Guanine nucleotide-binding protein G(I), alpha-1 subunit: “Crystal structure of human G[ALPHA]I1 bound to the goloco motif of RGS14”. X-ray diffraction, 3 ligands (GDP, CS, MG), 10 pockets (best druggability 0.75). MolNFT v1 #12539…
- PDB
- 1KJY
- Type
- protein
- Length
- 707 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, O08773
- Ligands
- GDP, CS, MG
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(I), alpha-1 subunit | protein | 320 | 50% helix, 13% strand | P63096 |
| B | Regulator of G-protein signaling 14 | protein | 35 | 49% helix, 0% strand | O08773 |
| C | Guanine nucleotide-binding protein G(I), alpha-1 subunit | protein | 318 | 50% helix, 12% strand | P63096 |
| D | Regulator of G-protein signaling 14 | protein | 34 | 44% helix, 0% strand | O08773 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B, C, D
- CS · Cesium ion · metal · 15 copies · chains A, C, D
- MG · Magnesium ion · metal · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 429 | 0.75 | 0.85 | 69 | MG, CS, GDP |
| 2 | 179 | 0.71 | 0.89 | 38 | GDP, MG |
| 3 | 217 | 0.59 | 0.81 | 36 | CS |
| 4 | 52 | 0.39 | 0.82 | 17 | empty |
| 5 | 69 | 0.38 | 0.78 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1733 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1713 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 1KJY · Crystal Structure of Human G[alpha]i1 Bound to the GoLoco Motif of RGS14 · the same entry in another collection · chain C against C, 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 0.95
- O08773 · AlphaFold monomer V2.0 prediction for regulator of G-protein signaling 14 (O08773) · a predicted model of the same protein · chain D against A, TM-score 0.40
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 O08773
- Elsewhere: RCSB PDB 1KJY · PDBe 1KJY · UniProt P63096 · UniProt O08773
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