Research workbench
Tubr bound to 24 bp of tubc from bacillus thuringiensis serovar israelensis pbtoxis
Analyse Tubr bound to 24 bp of tubc from bacillus thuringiensis serovar israelensis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ASO
- Type
- protein + DNA
- Length
- 1,680 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tubr from bacillus thuringiensis pbtoxis; Tubc from bacillus thuringiensis pbtoxis 24 bp
- UniProt
- Q8KNP2
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P | Tubr from bacillus thuringiensis pbtoxis | protein | 93 | 55% helix, 19% strand | Q8KNP2 |
| S, U, W, Y | Tubc from bacillus thuringiensis pbtoxis 24 bp | dna | 24 | — | — |
| T, V, X, Z | Tubc from bacillus thuringiensis pbtoxis 24 bp | dna | 24 | — | — |
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 736 | 0.73 | 0.79 | 72 | empty |
| 2 | 779 | 0.72 | 0.78 | 76 | empty |
| 3 | 855 | 0.72 | 0.77 | 79 | empty |
| 4 | 822 | 0.72 | 0.78 | 80 | empty |
| 5 | 662 | 0.70 | 0.78 | 70 | empty |
Interfaces
71 interfaces between chains.
- C–D · 1222 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 1221 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1218 Ų buried · 8 hydrogen bonds · protein-protein
- G–H · 1218 Ų buried · 8 hydrogen bonds · protein-protein
- I–J · 1217 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (engineered).
Compared structures
- 4ASO · TubR bound to 24 bp of tubC from Bacillus thuringiensis serovar israelensis pBtoxis · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8KNP2
- Elsewhere: RCSB PDB 4ASO · PDBe 4ASO · UniProt Q8KNP2
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