MolNFT v1 · #92370 · protein
Structure of lgn GL4/GALPHAI1 complex
4G5Q · Guanine nucleotide-binding protein G(I) subunit alpha-1: “Structure of lgn GL4/GALPHAI1 complex”. X-ray diffraction, 2 ligands (GDP, SO4), 20 pockets (best druggability 0.76). MolNFT v1 #92370 on GenesisL1: 3D structure, binding…
- PDB
- 4G5Q
- Type
- protein
- Length
- 1,365 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(I) subunit alpha-1; G-protein-signaling modulator 2
- UniProt
- P63096, Q8VDU0
- Ligands
- GDP, SO4
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 7 distinct chains · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 320 | 49% helix, 12% strand | P63096 |
| B | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 316 | 53% helix, 12% strand | P63096 |
| C | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 316 | 50% helix, 13% strand | P63096 |
| D | Guanine nucleotide-binding protein G(I) subunit alpha-1 | protein | 324 | 49% helix, 13% strand | P63096 |
| E | G-protein-signaling modulator 2 | protein | 21 | 62% helix, 5% strand | Q8VDU0 |
| F, H | G-protein-signaling modulator 2 | protein | 22 | 59% helix, 5% strand | Q8VDU0 |
| G | G-protein-signaling modulator 2 | protein | 24 | 54% helix, 4% strand | Q8VDU0 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 4 copies · chains A, E, B, F, C, G, D, H
- SO4 · Sulfate ion · ion · 17 copies · chains A, B, C, D
- CIT · Citric acid · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 649 | 0.76 | 0.82 | 90 | GDP |
| 2 | 491 | 0.75 | 0.83 | 66 | GDP |
| 3 | 105 | 0.73 | 0.95 | 24 | GDP |
| 4 | 104 | 0.73 | 0.95 | 24 | GDP |
| 5 | 279 | 0.63 | 0.81 | 41 | empty |
Interfaces
9 interfaces between chains.
- B–F · 1529 Ų buried · 22 hydrogen bonds · protein-protein
- A–E · 1433 Ų buried · 19 hydrogen bonds · protein-protein
- D–H · 1427 Ų buried · 20 hydrogen bonds · protein-protein
- C–G · 1349 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 714 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
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 Q8VDU0
- Elsewhere: RCSB PDB 4G5Q · PDBe 4G5Q · UniProt P63096 · UniProt Q8VDU0
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