Research workbench
Structure of a fragment of human phospholipase C-BETA3 DELTA472-569, bound to IP3 and in complex with galphaq
Analyse Structure of a fragment of human phospholipase C-BETA3 DELTA472-569, bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QJ4
- Type
- protein
- Length
- 1,067 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanine nucleotide-binding protein G(Q) subunit alpha; 1-phosphatidylinositol…
- EC
- 3.1.4.11
- UniProt
- P21279, Q01970
- Ligands
- GDP, ALF, I3P, MG, CA
- Pockets
- 18 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Guanine nucleotide-binding protein G(Q) subunit alpha | protein | 318 | 48% helix, 13% strand | P21279 |
| B | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (EC 3.1.4.11) | protein | 749 | 32% helix, 22% strand | Q01970 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- ALF · Tetrafluoroaluminate ion · ligand · chains A
- I3P · D-myo-inositol-1,4,5-triphosphate · ligand · chains B
- MG · Magnesium ion · metal · chains A
- CA · Calcium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1060 | 0.78 | 0.79 | 66 | empty |
| 2 | 941 | 0.76 | 0.79 | 92 | GDP, ALF, MG |
| 3 | 217 | 0.72 | 0.88 | 28 | empty |
| 4 | 246 | 0.66 | 0.83 | 43 | empty |
| 5 | 296 | 0.66 | 0.82 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 1672 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 4QJ4 · Structure of a fragment of human phospholipase C-beta3 delta472-569, bound to IP3 and in… · the same entry in another collection · chain A against A, TM-score 1.00
- Q01970 · AlphaFold monomer V2.0 prediction for 1-phosphatidylinositol 4,5-bisphosphate… · a predicted model of the same protein · chain B against A, TM-score 1.00
- P21279 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(Q) subunit… · a predicted model of the same protein · chain A 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 P21279
- Every structure of UniProt Q01970
- Elsewhere: RCSB PDB 4QJ4 · PDBe 4QJ4 · UniProt P21279 · UniProt Q01970
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