Research workbench
Crystal structure of the regulatory domain of MexT, a transcriptional activator in Pseudomonas aeruginosa
Analyse Crystal structure of the regulatory domain of MexT, a transcriptional activator… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6L33
- Type
- protein
- Length
- 786 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Pseudomonas aeruginosa
- Molecule
- MexT protein
- UniProt
- O87785
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · resolution 2 · 4 distinct chains · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MexT protein | protein | 200 | 34% helix, 27% strand | O87785 |
| B | MexT protein | protein | 204 | 33% helix, 26% strand | O87785 |
| C | MexT protein | protein | 199 | 35% helix, 29% strand | O87785 |
| D | MexT protein | protein | 183 | 32% helix, 30% strand | O87785 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 700 | 0.87 | 0.91 | 73 | SO4 |
| 2 | 95 | 0.78 | 0.98 | 30 | SO4 |
| 3 | 108 | 0.77 | 0.97 | 29 | empty |
| 4 | 667 | 0.71 | 0.78 | 58 | empty |
| 5 | 457 | 0.62 | 0.76 | 40 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1487 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1368 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 853 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 733 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 146 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 modified (engineered).
Compared structures
- 6L33 · Crystal structure of the regulatory domain of mext, a transcriptional activator in… · the same entry in another collection · chain A against A, TM-score 1.00
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 O87785
- Elsewhere: RCSB PDB 6L33 · PDBe 6L33 · UniProt O87785
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