Research workbench
crystal structure of the phenol-responsive sensory domain of the transcription activator PoxR with 3,4-dimethylphenol
Analyse crystal structure of the phenol-responsive sensory domain of the transcription… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5FRZ
- Type
- protein
- Length
- 388 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.1
- Source
- Ralstonia sp. E2
- Molecule
- Positive phenol-degradative gene regulator
- UniProt
- O84957
- Ligands
- 2MP, ZN
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · resolution 2.1 · 1 distinct chain · 51% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Positive phenol-degradative gene regulator | protein | 194 | 51% helix, 25% strand | O84957 |
Ligands and binding sites
- 2MP · 3,4-dimethylphenol · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 98 | 0.47 | 0.80 | 22 | empty |
| 2 | 59 | 0.43 | 0.82 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2280 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 5FRZ · Crystal structure of the phenol-responsive sensory domain of the transcription activator… · 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 O84957
- Elsewhere: RCSB PDB 5FRZ · PDBe 5FRZ · UniProt O84957
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