MolNFT v1 · #163515 · protein
Square conformation of ktra R16A mutant ring with bound ATP
6S5D · Ktr system potassium uptake protein a: “Square conformation of ktra R16A mutant ring with bound ATP”. X-ray diffraction, 2 ligands (ATP, MG), 7 pockets (best druggability 0.58). MolNFT v1 #163515 on GenesisL1: 3D structure, binding…
- PDB
- 6S5D
- Type
- protein
- Length
- 433 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, MG
- Pockets
- 7 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ktr system potassium uptake protein a | protein | 216 | 38% helix, 29% strand | O32080 |
| B | Ktr system potassium uptake protein a | protein | 217 | 37% 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
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 394 | 0.58 | 0.75 | 40 | empty |
| 2 | 335 | 0.56 | 0.75 | 50 | ATP, MG |
| 3 | 87 | 0.51 | 0.83 | 14 | empty |
| 4 | 122 | 0.47 | 0.79 | 22 | empty |
| 5 | 152 | 0.44 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 2325 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6S5D · Square conformation of KtrA R16A 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 6S5D · PDBe 6S5D · UniProt O32080
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