Research workbench
Crystal structure of type VI effector TSE1 from pseudomonas aeruginosa in complex with immune protein TSI1
Analyse Crystal structure of type VI effector TSE1 from pseudomonas aeruginosa in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3VPJ
- Type
- protein
- Length
- 1,172 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type VI secretion exported 1; TSE1-specific immunity protein
- UniProt
- Q9I2Q1, Q9I2Q0
- Pockets
- 17 · best druggability 0.81
Structure
x-ray diffraction · 5 distinct chains · 16% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Type VI secretion exported 1 | protein | 146 | 37% helix, 20% strand | Q9I2Q1 |
| B, C | Type VI secretion exported 1 | protein | 145 | 34% helix, 20% strand | Q9I2Q1 |
| E, G | TSE1-specific immunity protein | protein | 148 | 4% helix, 53% strand | Q9I2Q0 |
| F | TSE1-specific immunity protein | protein | 147 | 4% helix, 52% strand | Q9I2Q0 |
| H | TSE1-specific immunity protein | protein | 147 | 0% helix, 50% strand | Q9I2Q0 |
Pockets
17 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1035 | 0.81 | 0.83 | 104 | empty |
| 2 | 1177 | 0.79 | 0.81 | 111 | empty |
| 3 | 55 | 0.49 | 0.86 | 18 | empty |
| 4 | 143 | 0.47 | 0.77 | 30 | empty |
| 5 | 117 | 0.43 | 0.77 | 26 | empty |
Interfaces
12 interfaces between chains.
- D–H · 1121 Ų buried · 17 hydrogen bonds · protein-protein
- C–G · 1100 Ų buried · 21 hydrogen bonds · protein-protein
- A–E · 1098 Ų buried · 19 hydrogen bonds · protein-protein
- B–F · 1056 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 579 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 3VPJ · crystal structure of type VI effector Tse1 from Pseudomonas aeruginosa in complex with… · the same entry in another collection · chain H against H, TM-score 1.00
- Q9I2Q1 · AlphaFold monomer V2.0 prediction for peptidoglycan amidase TSE1 (Q9I2Q1) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9I2Q0 · AlphaFold monomer V2.0 prediction for immune protein TSI1 (Q9I2Q0) · a predicted model of the same protein · chain H against A, TM-score 0.99
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 Q9I2Q1
- Every structure of UniProt Q9I2Q0
- Elsewhere: RCSB PDB 3VPJ · PDBe 3VPJ · UniProt Q9I2Q1 · UniProt Q9I2Q0
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