Research workbench
Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, tetrameric crystal form bound to STO1101
Analyse Exoenzyme T from Pseudomonas aeruginosa in complex with human 14-3-3 protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GNN
- Type
- protein
- Length
- 423 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.79
- Source
- Homo sapiens; Pseudomonas aeruginosa PAO1
- Molecule
- 14-3-3 protein beta/alpha; Exoenzyme T
- UniProt
- P31946, Q9I788
- Ligands
- F4W
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · resolution 3.79 · 2 distinct chains · 55% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein beta/alpha | protein | 225 | 77% helix, 0% strand | P31946 |
| C | Exoenzyme T | protein | 198 | 30% helix, 16% strand | Q9I788 |
Ligands and binding sites
- F4W · 3-(12-oxidanylidene-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl)propanoic acid · ligand · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.65 | 0.84 | 30 | F4W |
| 2 | 63 | 0.31 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–C · 1705 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 6GNN · Exoenzyme T from pseudomonas aeruginosa in complex with human 14-3-3 protein beta… · the same entry in another collection · chain A against A, TM-score 1.00
- P31946 · AlphaFold monomer V2.0 prediction for 14-3-3 protein BETA/ALPHA (P31946) · a predicted model of the same protein · chain A against A, TM-score 0.97
- Q9I788 · AlphaFold monomer V2.0 prediction for exoenzyme T (Q9I788) · a predicted model of the same protein · chain C against A, TM-score 0.96
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 P31946
- Every structure of UniProt Q9I788
- Elsewhere: RCSB PDB 6GNN · PDBe 6GNN · UniProt P31946 · UniProt Q9I788
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