Research workbench
Crystal Structure Of The Receiver Domain Of TMAO Respiratory System Response Regulator TorR
Analyse Crystal Structure Of The Receiver Domain Of TMAO Respiratory System Response… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZGZ
- Type
- protein
- Length
- 481 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Escherichia coli
- Molecule
- TorCAD operon transcriptional regulatory protein torR
- UniProt
- P38684
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · resolution 1.8 · 2 distinct chains · 48% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TorCAD operon transcriptional regulatory protein torR | protein | 121 | 47% helix, 21% strand | P38684 |
| B, C, D | TorCAD operon transcriptional regulatory protein torR | protein | 120 | 49% helix, 21% strand | P38684 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.73 | 0.98 | 17 | empty |
| 2 | 237 | 0.65 | 0.83 | 26 | empty |
| 3 | 469 | 0.63 | 0.76 | 66 | empty |
| 4 | 193 | 0.55 | 0.79 | 23 | empty |
| 5 | 67 | 0.37 | 0.78 | 13 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1114 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1068 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 555 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 351 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 232 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 1ZGZ · Crystal structure of the receiver domain of tmao respiratory system response regulator… · the same entry in another collection · chain A against A, TM-score 1.00
- P38684 · AlphaFold monomer V2.0 prediction for torcad operon transcriptional regulatory protein… · a predicted model of the same protein · chain B 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 P38684
- Elsewhere: RCSB PDB 1ZGZ · PDBe 1ZGZ · UniProt P38684
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