Research workbench
Structure of C. albicans trehalose-6-phosphate phosphatase C-terminal domain
Analyse Structure of C. albicans trehalose-6-phosphate phosphatase C-terminal domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5DXI
- Type
- protein
- Length
- 579 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trehalose-6-phosphate phosphatase
- EC
- 2.4.1.15
- UniProt
- Q5AI14
- Ligands
- BEF, GLC, MG
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trehalose-6-phosphate phosphatase (EC 2.4.1.15) | protein | 290 | 38% helix, 20% strand | Q5AI14 |
| B | Trehalose-6-phosphate phosphatase (EC 2.4.1.15) | protein | 289 | 39% helix, 20% strand | Q5AI14 |
Ligands and binding sites
- BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 198 | 0.79 | 0.94 | 38 | GLC, BEF |
| 2 | 200 | 0.77 | 0.92 | 39 | GLC, MG, BEF |
| 3 | 678 | 0.66 | 0.75 | 74 | empty |
| 4 | 65 | 0.33 | 0.76 | 17 | empty |
| 5 | 53 | 0.33 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 225 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5DXI · Structure of C. albicans Trehalose-6-phosphate phosphatase C-terminal domain · 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 Q5AI14
- Elsewhere: RCSB PDB 5DXI · PDBe 5DXI · UniProt Q5AI14
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