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Crystal structure of tetr transcriptional regulator from legionella pneumophila
Analyse Crystal structure of tetr transcriptional regulator from legionella pneumophila in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ON4
- Type
- protein
- Length
- 1,499 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, tetr family
- UniProt
- Q5ZU41
- Ligands
- NA
- Pockets
- 12 · best druggability 0.59
Structure
x-ray diffraction · 5 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, tetr family | protein | 190 | 77% helix, 0% strand | Q5ZU41 |
| B | Transcriptional regulator, tetr family | protein | 189 | 77% helix, 0% strand | Q5ZU41 |
| C, G | Transcriptional regulator, tetr family | protein | 187 | 78% helix, 0% strand | Q5ZU41 |
| D, F, H | Transcriptional regulator, tetr family | protein | 186 | 78% helix, 0% strand | Q5ZU41 |
| E | Transcriptional regulator, tetr family | protein | 188 | 78% helix, 0% strand | Q5ZU41 |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains A, B, C, H, D, G, E, F
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.59 | 0.77 | 27 | empty |
| 2 | 326 | 0.56 | 0.76 | 40 | empty |
| 3 | 355 | 0.56 | 0.75 | 36 | empty |
| 4 | 278 | 0.55 | 0.76 | 30 | empty |
| 5 | 362 | 0.52 | 0.72 | 35 | empty |
Interfaces
11 interfaces between chains.
- E–F · 1629 Ų buried · 13 hydrogen bonds · protein-protein
- D–G · 1628 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1625 Ų buried · 9 hydrogen bonds · protein-protein
- C–H · 1609 Ų buried · 10 hydrogen bonds · protein-protein
- B–E · 1430 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 27 modified (engineered).
Compared structures
- 3ON4 · Crystal structure of TetR transcriptional regulator from Legionella pneumophila · 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 Q5ZU41
- Elsewhere: RCSB PDB 3ON4 · PDBe 3ON4 · UniProt Q5ZU41
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