MolNFT v1 · #36894 · protein
Activated RAC1 bound to its effector phospholipase C beta 2
2FJU · RAS-related C3 botulinum toxin substrate 1: “Activated RAC1 bound to its effector phospholipase C beta 2”. X-ray diffraction, 3 ligands (GSP, MG, CA), 10 pockets (best druggability 0.77). MolNFT v1 #36894 on GenesisL1: 3D structure…
- PDB
- 2FJU
- Type
- protein
- Length
- 873 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RAS-related C3 botulinum toxin substrate 1; 1-phosphatidylinositol-4,5-bisphosphate…
- EC
- 3.1.4.11
- UniProt
- P63000, Q00722
- Ligands
- GSP, MG, CA
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RAS-related C3 botulinum toxin substrate 1 | protein | 177 | 39% helix, 25% strand | P63000 |
| B | 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 2 (EC 3.1.4.11) | protein | 696 | 31% helix, 24% strand | Q00722 |
Ligands and binding sites
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains A
- 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
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 191 | 0.77 | 0.92 | 27 | empty |
| 2 | 195 | 0.71 | 0.88 | 28 | empty |
| 3 | 218 | 0.70 | 0.86 | 26 | empty |
| 4 | 84 | 0.66 | 0.92 | 26 | empty |
| 5 | 356 | 0.56 | 0.75 | 44 | empty |
Interfaces
1 interface between chains.
- A–B · 659 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2FJU · Activated Rac1 bound to its effector phospholipase C beta 2 · the same entry in another collection · chain A against A, TM-score 1.00
- P63000 · AlphaFold monomer V2.0 prediction for RAS-related C3 botulinum toxin substrate 1 (P63000) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q00722 · AlphaFold monomer V2.0 prediction for 1-phosphatidylinositol 4,5-bisphosphate… · 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 P63000
- Every structure of UniProt Q00722
- Elsewhere: RCSB PDB 2FJU · PDBe 2FJU · UniProt P63000 · UniProt Q00722
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