Research workbench
Structure of hydroxyethylthiazole kinase thim from staphylococcus aureus
Analyse Structure of hydroxyethylthiazole kinase thim from staphylococcus aureus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5CM5
- Type
- protein
- Length
- 1,525 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyethylthiazole kinase
- EC
- 2.7.1.50
- UniProt
- Q6GEY3
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 6 distinct chains · 54% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 262 | 53% helix, 15% strand | Q6GEY3 |
| B | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 254 | 53% helix, 16% strand | Q6GEY3 |
| C | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 258 | 54% helix, 16% strand | Q6GEY3 |
| D | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 254 | 55% helix, 17% strand | Q6GEY3 |
| E | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 249 | 54% helix, 16% strand | Q6GEY3 |
| F | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 248 | 54% helix, 16% strand | Q6GEY3 |
Pockets
14 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 340 | 0.85 | 0.95 | 48 | empty |
| 2 | 341 | 0.84 | 0.94 | 49 | empty |
| 3 | 384 | 0.79 | 0.88 | 48 | empty |
| 4 | 627 | 0.77 | 0.83 | 62 | empty |
| 5 | 394 | 0.77 | 0.87 | 51 | empty |
Interfaces
8 interfaces between chains.
- A–B · 1117 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 1011 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 997 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 990 Ų buried · 19 hydrogen bonds · protein-protein
- D–F · 988 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 5CM5 · Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus · the same entry in another collection · chain F against F, TM-score 1.00
- Q6GEY3 · AlphaFold monomer V2.0 prediction for hydroxyethylthiazole kinase (Q6GEY3) · a predicted model of the same protein · chain E 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 Q6GEY3
- Elsewhere: RCSB PDB 5CM5 · PDBe 5CM5 · UniProt Q6GEY3
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