MolNFT v1 · #103517 · protein
Structural insight into the function and evolution of the spliceosomal helicase aquarius, structure of aquarius in complex with amppnp
4PJ3 · Intron-binding protein aquarius: “Structural insight into the function and evolution of the spliceosomal helicase aquarius, structure of…”. X-ray diffraction, 2 ligands (ANP, MG), 14 pockets (best druggability 0.85). MolNFT v1…
- 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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