MolNFT v1 · #91874 · protein
Crystal structure of toxic effector TSE1 in complex with immune protein TSI1
4FQB: “Crystal structure of toxic effector TSE1 in complex with immune protein TSI1”. X-ray diffraction, 15 pockets (best druggability 0.80). MolNFT v1 #91874 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FQB
- Type
- protein
- Length
- 1,176 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toxic effector TSE1; Immune protein TSI1
- UniProt
- Q9I2Q1, Q9I2Q0
- Pockets
- 15 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Toxic effector TSE1 | protein | 146 | 38% helix, 21% strand | Q9I2Q1 |
| B, D, F, H | Immune protein TSI1 | protein | 148 | 4% helix, 54% strand | Q9I2Q0 |
Pockets
15 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1177 | 0.80 | 0.82 | 120 | empty |
| 2 | 177 | 0.50 | 0.77 | 33 | empty |
| 3 | 143 | 0.45 | 0.77 | 31 | empty |
| 4 | 64 | 0.45 | 0.83 | 23 | empty |
| 5 | 140 | 0.44 | 0.76 | 24 | empty |
Interfaces
9 interfaces between chains.
- G–H · 1127 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1116 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1098 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1070 Ų buried · 22 hydrogen bonds · protein-protein
- A–E · 597 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 4FQB · crystal structure of toxic effector Tse1 in complex with immune protein Tsi1 · 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 B against A, TM-score 0.98
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 4FQB · PDBe 4FQB · UniProt Q9I2Q1 · UniProt Q9I2Q0
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