Research workbench
Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa
Analyse Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CJ0
- Type
- protein
- Length
- 506 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trehalose phosphatase
- UniProt
- B3G2E1
- Ligands
- MG, CO3
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Trehalose phosphatase | protein | 253 | 39% helix, 26% strand | B3G2E1 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CO3 · Carbonate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 376 | 0.69 | 0.82 | 39 | MG, CO3 |
| 2 | 389 | 0.68 | 0.81 | 37 | MG, CO3 |
| 3 | 214 | 0.53 | 0.77 | 29 | empty |
| 4 | 198 | 0.49 | 0.76 | 23 | empty |
| 5 | 82 | 0.38 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1356 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 6CJ0 · Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa · 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 B3G2E1
- Elsewhere: RCSB PDB 6CJ0 · PDBe 6CJ0 · UniProt B3G2E1
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