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Crystal structure of a transketolase from burkholderia thailandensis with an oxidized cysteinesulfonic acid in the active site
Analyse Crystal structure of a transketolase from burkholderia thailandensis with an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UK1
- Type
- protein
- Length
- 1,320 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transketolase
- EC
- 2.2.1.1
- UniProt
- Q2SZA7
- Ligands
- SO4, CL
- Pockets
- 14 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transketolase (EC 2.2.1.1) | protein | 651 | 48% helix, 15% strand | Q2SZA7 |
| B | Transketolase (EC 2.2.1.1) | protein | 669 | 45% helix, 14% strand | Q2SZA7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.72 | 0.97 | 17 | CL |
| 2 | 359 | 0.68 | 0.81 | 43 | SO4 |
| 3 | 213 | 0.62 | 0.82 | 36 | SO4 |
| 4 | 246 | 0.59 | 0.80 | 45 | empty |
| 5 | 379 | 0.58 | 0.75 | 48 | empty |
Interfaces
1 interface between chains.
- A–B · 4204 Ų buried · 85 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 3UK1 · Crystal structure of a transketolase from Burkholderia thailandensis with an oxidized… · 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 Q2SZA7
- Elsewhere: RCSB PDB 3UK1 · PDBe 3UK1 · UniProt Q2SZA7
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