MolNFT v1 · #117186 · protein
Brugia malayi trehalose-6 phosphate phosphatase in complex with peg at the active site.
5E0O · Trehalose-phosphatase: “Brugia malayi trehalose-6 phosphate phosphatase in complex with peg at the active site.”. X-ray diffraction, 2 ligands (MG, SO4), 3 pockets (best druggability 0.61). MolNFT v1 #117186 on GenesisL1: 3D…
- PDB
- 5E0O
- Type
- protein
- Length
- 418 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trehalose-phosphatase
- EC
- 3.1.3.12
- UniProt
- A8NS89
- Ligands
- MG, SO4
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trehalose-phosphatase (EC 3.1.3.12) | protein | 418 | 47% helix, 15% strand | A8NS89 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 410 | 0.61 | 0.77 | 45 | MG, PEG |
| 2 | 94 | 0.46 | 0.80 | 24 | empty |
| 3 | 60 | 0.29 | 0.75 | 17 | empty |
Compared structures
- 5E0O · Brugia malayi Trehalose-6 Phosphate Phosphatase in complex with PEG at the active site. · the same entry in another collection · chain A against A, TM-score 1.00
- A8NS89 · AlphaFold monomer V2.0 prediction for trehalose-phosphatase (A8NS89) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 A8NS89
- Elsewhere: RCSB PDB 5E0O · PDBe 5E0O · UniProt A8NS89
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