Research workbench
Structural insight into the function and evolution of the spliceosomal helicase aquarius, structure of aquarius in complex with amppnp
Analyse Structural insight into the function and evolution of the spliceosomal helicase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PJ3
- Type
- protein
- Length
- 1,335 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intron-binding protein aquarius
- UniProt
- O60306
- Ligands
- ANP, MG
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Intron-binding protein aquarius | protein | 1335 | 49% helix, 12% strand | O60306 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1098 | 0.85 | 0.86 | 116 | empty |
| 2 | 766 | 0.79 | 0.83 | 60 | empty |
| 3 | 704 | 0.74 | 0.80 | 71 | ANP, MG |
| 4 | 514 | 0.65 | 0.77 | 57 | empty |
| 5 | 507 | 0.62 | 0.75 | 46 | empty |
Modifications
Observed in the structure: 36 modified (engineered).
Compared structures
- 4PJ3 · Structural insight into the function and evolution of the spliceosomal helicase Aquarius… · the same entry in another collection · chain A against A, TM-score 1.00
- O60306 · AlphaFold monomer V2.0 prediction for RNA helicase aquarius (O60306) · 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 O60306
- Elsewhere: RCSB PDB 4PJ3 · PDBe 4PJ3 · UniProt O60306
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