MolNFT v1 · #91546 · protein
Structure of the effector - immunity system TSE1 / TSI1 from pseudomonas aeruginosa
4FGI: “Structure of the effector - immunity system TSE1 / TSI1 from pseudomonas aeruginosa”. X-ray diffraction, 12 pockets (best druggability 0.78). MolNFT v1 #91546 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FGI
- Type
- protein
- Length
- 1,171 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TSE1; TSI1
- UniProt
- Q9I2Q1, Q9I2Q0
- Pockets
- 12 · best druggability 0.78
Structure
x-ray diffraction · 6 distinct chains · 25% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TSE1 | protein | 147 | 34% helix, 24% strand | Q9I2Q1 |
| B, D, F | TSI1 | protein | 147 | 5% helix, 50% strand | Q9I2Q0 |
| C | TSE1 | protein | 146 | 36% helix, 20% strand | Q9I2Q1 |
| E | TSE1 | protein | 146 | 36% helix, 20% strand | Q9I2Q1 |
| G | TSE1 | protein | 145 | 32% helix, 21% strand | Q9I2Q1 |
| H | TSI1 | protein | 146 | 5% helix, 50% strand | Q9I2Q0 |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1175 | 0.78 | 0.80 | 107 | empty |
| 2 | 727 | 0.73 | 0.79 | 66 | empty |
| 3 | 411 | 0.69 | 0.81 | 41 | empty |
| 4 | 255 | 0.56 | 0.78 | 33 | empty |
| 5 | 140 | 0.49 | 0.78 | 30 | empty |
Interfaces
11 interfaces between chains.
- A–B · 1172 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1142 Ų buried · 22 hydrogen bonds · protein-protein
- G–H · 1124 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1106 Ų buried · 18 hydrogen bonds · protein-protein
- F–H · 404 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified, 12 disulfide (engineered, disulfide).
Compared structures
- 4FGI · Structure of the effector - immunity system Tse1 / Tsi1 from Pseudomonas aeruginosa · 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 C 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 4FGI · PDBe 4FGI · UniProt Q9I2Q1 · UniProt Q9I2Q0
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