MolNFT v1 · #154059 · protein
Crystal structure of the 5-(hydroxyethyl)-methylthiazole kinase thim from klebsiella pneumonia
6JYY · Hydroxyethylthiazole kinase: “Crystal structure of the 5-(hydroxyethyl)-methylthiazole kinase thim from klebsiella pneumonia”. X-ray diffraction, 6 pockets (best druggability 0.84). MolNFT v1 #154059 on GenesisL1: 3D structure…
- PDB
- 6JYY
- Type
- protein
- Length
- 706 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyethylthiazole kinase
- EC
- 2.7.1.50
- UniProt
- W9BB97
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 233 | 54% helix, 14% strand | W9BB97 |
| B | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 242 | 55% helix, 15% strand | W9BB97 |
| A | Hydroxyethylthiazole kinase (EC 2.7.1.50) | protein | 231 | 56% helix, 14% strand | W9BB97 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 307 | 0.84 | 0.94 | 35 | empty |
| 2 | 653 | 0.72 | 0.79 | 48 | empty |
| 3 | 298 | 0.71 | 0.85 | 35 | empty |
| 4 | 528 | 0.70 | 0.79 | 48 | empty |
| 5 | 585 | 0.69 | 0.78 | 46 | empty |
Interfaces
3 interfaces between chains.
- B–A · 1028 Ų buried · 16 hydrogen bonds · protein-protein
- C–A · 1016 Ų buried · 15 hydrogen bonds · protein-protein
- C–B · 1007 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6JYY · Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella… · the same entry in another collection · chain C against C, TM-score 1.00
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 W9BB97
- Elsewhere: RCSB PDB 6JYY · PDBe 6JYY · UniProt W9BB97
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