Research workbench
Square conformation of ktra wt ring with bound ATP and calcium
Analyse Square conformation of ktra wt ring with bound ATP and calcium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6S5C
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ktr system potassium uptake protein a
- UniProt
- O32080
- Ligands
- ATP, CA
- Pockets
- 9 · best druggability 0.51
Structure
x-ray diffraction · 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
- CA · Calcium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 199 | 0.51 | 0.77 | 23 | empty |
| 2 | 100 | 0.50 | 0.82 | 17 | empty |
| 3 | 87 | 0.49 | 0.82 | 14 | empty |
| 4 | 158 | 0.47 | 0.77 | 27 | ATP |
| 5 | 182 | 0.45 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2394 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 6S5C · Square conformation of KtrA WT ring with bound ATP and calcium · 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 6S5C · PDBe 6S5C · UniProt O32080
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