MolNFT v1 · #23392 · protein
Crystal structure of aminoimidazole riboside kinase from salmonella enterica
1TYY · Putative sugar kinase: “Crystal structure of aminoimidazole riboside kinase from salmonella enterica”. X-ray diffraction, 1 ligand (K), 4 pockets (best druggability 0.69). MolNFT v1 #23392 on GenesisL1: 3D structure, binding sites…
- PDB
- 1TYY
- Type
- protein
- Length
- 593 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative sugar kinase
- EC
- 2.7.1.4
- UniProt
- Q8ZKR2
- Ligands
- K
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative sugar kinase (EC 2.7.1.4) | protein | 297 | 42% helix, 21% strand | Q8ZKR2 |
| B | Putative sugar kinase (EC 2.7.1.4) | protein | 296 | 40% helix, 23% strand | Q8ZKR2 |
Ligands and binding sites
- K · Potassium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 556 | 0.69 | 0.79 | 73 | empty |
| 2 | 424 | 0.67 | 0.80 | 68 | empty |
| 3 | 75 | 0.49 | 0.83 | 18 | empty |
| 4 | 52 | 0.46 | 0.85 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 765 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 1TYY · Crystal structure of aminoimidazole riboside kinase from Salmonella enterica · the same entry in another collection · chain A against A, TM-score 1.00
- Q8ZKR2 · AlphaFold monomer V2.0 prediction for aminoimidazole riboside kinase (Q8ZKR2) · 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 Q8ZKR2
- Elsewhere: RCSB PDB 1TYY · PDBe 1TYY · UniProt Q8ZKR2
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