MolNFT v1 · #113610 · protein
The complex of TSE2 and TSI2 from pseudomonas aeruginosa
5AKO: “The complex of TSE2 and TSI2 from pseudomonas aeruginosa”. X-ray diffraction, 5 pockets (best druggability 0.74). MolNFT v1 #113610 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5AKO
- Type
- protein
- Length
- 455 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TSI2; TSE2
- UniProt
- Q9I0D9, Q9I0E0
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TSI2 | protein | 74 | 76% helix, 1% strand | Q9I0D9 |
| B | TSI2 | protein | 75 | 72% helix, 1% strand | Q9I0D9 |
| C, D | TSE2 | protein | 153 | 19% helix, 26% strand | Q9I0E0 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.74 | 0.82 | 69 | empty |
| 2 | 556 | 0.73 | 0.81 | 73 | empty |
| 3 | 247 | 0.64 | 0.82 | 26 | empty |
| 4 | 239 | 0.63 | 0.81 | 24 | empty |
| 5 | 109 | 0.46 | 0.79 | 23 | empty |
Interfaces
5 interfaces between chains.
- A–B · 868 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 685 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 678 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 674 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 661 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5AKO · The complex of Tse2 and Tsi2 from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I0E0 · AlphaFold monomer V2.0 prediction for toxin TSE2 (Q9I0E0) · a predicted model of the same protein · chain C against A, TM-score 0.95
- Q9I0D9 · AlphaFold monomer V2.0 prediction for immune protein TSI2 (Q9I0D9) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q9I0D9
- Every structure of UniProt Q9I0E0
- Elsewhere: RCSB PDB 5AKO · PDBe 5AKO · UniProt Q9I0D9 · UniProt Q9I0E0
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