MolNFT v1 · #91542 · protein
Structure of the effector protein TSE1 from pseudomonas aeruginosa
4FGE: “Structure of the effector protein TSE1 from pseudomonas aeruginosa”. X-ray diffraction, 2 ligands (CL, SCN), 7 pockets (best druggability 0.55). MolNFT v1 #91542 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FGE
- Type
- protein
- Length
- 594 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TSE1
- UniProt
- Q9I2Q1
- Ligands
- CL, SCN
- Pockets
- 7 · best druggability 0.55
Structure
x-ray diffraction · 4 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TSE1 | protein | 150 | 37% helix, 24% strand | Q9I2Q1 |
| B | TSE1 | protein | 147 | 37% helix, 24% strand | Q9I2Q1 |
| C | TSE1 | protein | 149 | 37% helix, 25% strand | Q9I2Q1 |
| D | TSE1 | protein | 148 | 37% helix, 23% strand | Q9I2Q1 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, C
- SCN · Thiocyanate ion · ion · 2 copies · chains A, B, C
- GOL · Glycerol · additive · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.55 | 0.73 | 47 | empty |
| 2 | 242 | 0.50 | 0.75 | 41 | GOL |
| 3 | 122 | 0.47 | 0.79 | 27 | CL |
| 4 | 117 | 0.47 | 0.79 | 29 | CL |
| 5 | 86 | 0.43 | 0.79 | 27 | empty |
Interfaces
4 interfaces between chains.
- A–C · 709 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 463 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 315 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 18 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4FGE · Structure of the effector protein Tse1 from Pseudomonas aeruginosa · the same entry in another collection · chain D against D, TM-score 1.00
- Q9I2Q1 · AlphaFold monomer V2.0 prediction for peptidoglycan amidase TSE1 (Q9I2Q1) · a predicted model of the same protein · chain D 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
- Elsewhere: RCSB PDB 4FGE · PDBe 4FGE · UniProt Q9I2Q1
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