Research workbench
Crystal structure of axh domain complex with capicua
Analyse Crystal structure of axh domain complex with capicua in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4J2J
- Type
- protein
- Length
- 401 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ataxin-1; Protein capicua homolog
- UniProt
- P54253, Q96RK0
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 6 distinct chains · 20% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ataxin-1 | protein | 121 | 20% helix, 45% strand | P54253 |
| B | Ataxin-1 | protein | 118 | 19% helix, 39% strand | P54253 |
| C | Ataxin-1 | protein | 115 | 21% helix, 38% strand | P54253 |
| D | Protein capicua homolog | protein | 15 | 20% helix, 33% strand | Q96RK0 |
| E | Protein capicua homolog | protein | 17 | 18% helix, 35% strand | Q96RK0 |
| F | Protein capicua homolog | protein | 15 | 20% helix, 20% strand | Q96RK0 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.48 | 0.77 | 28 | empty |
| 2 | 84 | 0.47 | 0.82 | 25 | empty |
| 3 | 54 | 0.42 | 0.82 | 16 | empty |
| 4 | 79 | 0.36 | 0.77 | 16 | empty |
Interfaces
11 interfaces between chains.
- A–D · 916 Ų buried · 5 hydrogen bonds · protein-protein
- B–E · 896 Ų buried · 5 hydrogen bonds · protein-protein
- C–F · 822 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 508 Ų buried · 5 hydrogen bonds · protein-protein
- D–E · 394 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 4J2J · Crystal structure of AXH domain complex with Capicua · the same entry in another collection · chain F against F, TM-score 1.00
- P54253 · AlphaFold monomer V2.0 prediction for ataxin-1 (P54253) · a predicted model of the same protein · chain B against A, TM-score 0.92
- Q96RK0 · AlphaFold monomer V2.0 prediction for protein capicua homolog (Q96RK0) · a predicted model of the same protein · chain D against A, TM-score 0.33
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 P54253
- Every structure of UniProt Q96RK0
- Elsewhere: RCSB PDB 4J2J · PDBe 4J2J · UniProt P54253 · UniProt Q96RK0
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