MolNFT v1 · #163518 · protein
Non-square conformation of ktra A80P mutant ring with bound ADP
6S5G · Ktr system potassium uptake protein a: “Non-square conformation of ktra A80P mutant ring with bound ADP”. X-ray diffraction, 1 ligand (ADP), 20 pockets (best druggability 0.74). MolNFT v1 #163518 on GenesisL1: 3D structure, binding…
- PDB
- 6S5G
- Type
- protein
- Length
- 1,720 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ktr system potassium uptake protein a
- UniProt
- O32080
- Ligands
- ADP
- Pockets
- 20 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Ktr system potassium uptake protein a | protein | 215 | 38% helix, 27% strand | O32080 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1075 | 0.74 | 0.77 | 89 | empty |
| 2 | 426 | 0.66 | 0.79 | 62 | empty |
| 3 | 415 | 0.63 | 0.77 | 63 | ADP |
| 4 | 305 | 0.60 | 0.78 | 52 | ADP |
| 5 | 350 | 0.59 | 0.76 | 49 | empty |
Interfaces
16 interfaces between chains.
- E–F · 2357 Ų buried · 10 hydrogen bonds · protein-protein
- G–H · 2355 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 2348 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 2277 Ų buried · 10 hydrogen bonds · protein-protein
- D–F · 311 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 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 0.98
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 6S5G · PDBe 6S5G · UniProt O32080
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