Research workbench
Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical variant, trigonal form with long c-axis)
Analyse Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8A52
- Type
- protein
- Length
- 728 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.461
- Source
- Bradyrhizobium diazoefficiens USDA 110; Pseudomonas putida KT2440
- Molecule
- Putative Sensory box protein,Putative Sensory box protein,Sensor protein FixL
- UniProt
- Q88JB0, P23222
- Ligands
- ATP, FMN
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · resolution 2.461 · 1 distinct chain · 45% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative Sensory box protein,Putative Sensory box protein,Sensor protein FixL | protein | 364 | 45% helix, 24% strand | Q88JB0, P23222 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.80 | 0.87 | 53 | ATP |
| 2 | 428 | 0.78 | 0.87 | 56 | ATP |
| 3 | 222 | 0.74 | 0.89 | 28 | FMN |
| 4 | 197 | 0.73 | 0.89 | 29 | FMN |
| 5 | 857 | 0.69 | 0.75 | 69 | empty |
Interfaces
1 interface between chains.
- A–B · 4867 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- P23222 · AlphaFold monomer V2.0 prediction for sensor protein fixl (P23222) · a predicted model of the same protein · chain B against A, TM-score 0.45
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 Q88JB0
- Every structure of UniProt P23222
- Elsewhere: RCSB PDB 8A52 · PDBe 8A52 · UniProt Q88JB0 · UniProt P23222
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