Research workbench
Square conformation of KtrA R16K mutant ring with bound ATP
Analyse Square conformation of KtrA R16K mutant ring with bound ATP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6S2J
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.67
- Source
- Bacillus subtilis (strain 168)
- Molecule
- Ktr system potassium uptake protein A
- UniProt
- O32080
- Ligands
- ATP, MG
- Pockets
- 8 · best druggability 0.54
Structure
x-ray diffraction · resolution 2.67 · 1 distinct chain · 38% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ktr system potassium uptake protein A | protein | 217 | 38% helix, 29% strand | O32080 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.54 | 0.75 | 52 | ATP, MG |
| 2 | 220 | 0.51 | 0.76 | 19 | empty |
| 3 | 89 | 0.50 | 0.82 | 13 | empty |
| 4 | 78 | 0.48 | 0.83 | 15 | empty |
| 5 | 169 | 0.44 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2332 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6S2J · Square conformation of ktra R16K mutant ring with bound ATP · the same entry in another collection · chain A against A, TM-score 1.00
- O32080 · AlphaFold monomer V2.0 prediction for ktr system potassium uptake protein a (O32080) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O32080
- Elsewhere: RCSB PDB 6S2J · PDBe 6S2J · UniProt O32080
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