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Crystal structure of transketolase from bacillus anthracis
Analyse Crystal structure of transketolase from bacillus anthracis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HYL
- Type
- protein
- Length
- 1,326 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transketolase
- EC
- 2.2.1.1
- UniProt
- C3P4P9
- Ligands
- MG, CL, SO4
- Pockets
- 14 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transketolase (EC 2.2.1.1) | protein | 663 | 47% helix, 13% strand | C3P4P9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains B
- FMT · Formic acid · additive · 11 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 264 | 0.65 | 0.82 | 36 | empty |
| 2 | 256 | 0.63 | 0.81 | 35 | empty |
| 3 | 235 | 0.57 | 0.79 | 39 | GOL, FMT |
| 4 | 194 | 0.55 | 0.79 | 24 | FMT |
| 5 | 216 | 0.53 | 0.77 | 41 | FMT |
Interfaces
1 interface between chains.
- A–B · 4235 Ų buried · 75 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 modified (engineered).
Compared structures
- 3HYL · Crystal Structure of Transketolase from Bacillus anthracis · the same entry in another collection · chain A against A, 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 C3P4P9
- Elsewhere: RCSB PDB 3HYL · PDBe 3HYL · UniProt C3P4P9
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