Research workbench
Crystal structure of U5-15KD in a complex with PQBP1
Analyse Crystal structure of U5-15KD in a complex with PQBP1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BWQ
- Type
- protein
- Length
- 635 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin-like protein 4A; Polyglutamine-binding protein 1
- UniProt
- P83876, O60828
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 5 distinct chains · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E, G | Thioredoxin-like protein 4A | protein | 134 | 32% helix, 23% strand | P83876 |
| B | Polyglutamine-binding protein 1 | protein | 23 | 48% helix, 0% strand | O60828 |
| C | Thioredoxin-like protein 4A | protein | 133 | 32% helix, 23% strand | P83876 |
| D, H | Polyglutamine-binding protein 1 | protein | 26 | 58% helix, 0% strand | O60828 |
| F | Polyglutamine-binding protein 1 | protein | 25 | 56% helix, 0% strand | O60828 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.64 | 0.75 | 54 | empty |
| 2 | 475 | 0.62 | 0.76 | 50 | empty |
| 3 | 129 | 0.39 | 0.74 | 15 | empty |
| 4 | 84 | 0.36 | 0.75 | 15 | empty |
| 5 | 59 | 0.26 | 0.73 | 20 | empty |
Interfaces
12 interfaces between chains.
- E–F · 723 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 716 Ų buried · 10 hydrogen bonds · protein-protein
- G–H · 707 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 698 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 321 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4BWQ · Crystal structure of U5-15kD in a complex with PQBP1 · the same entry in another collection · chain H against H, TM-score 1.00
- P83876 · AlphaFold monomer V2.0 prediction for thioredoxin-like protein 4A (P83876) · a predicted model of the same protein · chain A against A, TM-score 0.99
- O60828 · AlphaFold monomer V2.0 prediction for polyglutamine-binding protein 1 (O60828) · a predicted model of the same protein · chain D against A, TM-score 0.69
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 P83876
- Every structure of UniProt O60828
- Elsewhere: RCSB PDB 4BWQ · PDBe 4BWQ · UniProt P83876 · UniProt O60828
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