MolNFT v1 · #85979 · protein + DNA
Tubr bound to 24 bp of tubc from bacillus thuringiensis serovar israelensis pbtoxis
4ASO · Tubr from bacillus thuringiensis pbtoxis: “Tubr bound to 24 bp of tubc from bacillus thuringiensis serovar israelensis pbtoxis”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #85979 on GenesisL1: 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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