Research workbench
Structure of drosophila melanogaster PAN3 pseudokinase
Analyse Structure of drosophila melanogaster PAN3 pseudokinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BWP
- Type
- protein
- Length
- 758 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pab-dependent POLY(A)-specific ribonuclease subunit pan-3
- UniProt
- Q95RR8
- Ligands
- AN2
- Pockets
- 12 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pab-dependent POLY(A)-specific ribonuclease subunit pan-3 | protein | 386 | 48% helix, 17% strand | Q95RR8 |
| B | Pab-dependent POLY(A)-specific ribonuclease subunit pan-3 | protein | 372 | 51% helix, 17% strand | Q95RR8 |
Ligands and binding sites
- AN2 · Amp phosphoramidate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.70 | 0.82 | 40 | AN2 |
| 2 | 321 | 0.69 | 0.83 | 38 | AN2 |
| 3 | 569 | 0.62 | 0.74 | 62 | empty |
| 4 | 324 | 0.57 | 0.76 | 44 | empty |
| 5 | 57 | 0.52 | 0.87 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2940 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4BWP · Structure of Drosophila Melanogaster PAN3 pseudokinase · the same entry in another collection · chain A against A, TM-score 1.00
- Q95RR8 · AlphaFold monomer V2.0 prediction for PAN2-PAN3 deadenylation complex subunit PAN3… · a predicted model of the same protein · chain A against A, TM-score 0.90
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 Q95RR8
- Elsewhere: RCSB PDB 4BWP · PDBe 4BWP · UniProt Q95RR8
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