MolNFT v1 · #49522 · protein
Crystal structure of a cell-wall invertase (D239A) from arabidopsis thaliana in complex with sucrose
2QQU · Beta-fructofuranosidase: “Crystal structure of a cell-wall invertase (D239A) from arabidopsis thaliana in complex with sucrose”. X-ray diffraction, 6 ligands (NAG, MAN, GLC), 5 pockets (best druggability 0.50). MolNFT v1 #49522 on…
- PDB
- 2QQU
- Type
- protein
- Length
- 535 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-fructofuranosidase
- EC
- 3.2.1.26
- UniProt
- Q43866
- Ligands
- NAG, MAN, GLC, FRU, ZN, NA
- Pockets
- 5 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-fructofuranosidase (EC 3.2.1.26) | protein | 535 | 5% helix, 46% strand | Q43866 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- FRU · beta-D-fructofuranose · sugar · chains A
- ZN · Zinc ion · metal · 4 copies · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 159 | 0.50 | 0.78 | 28 | GLC, FRU |
| 2 | 239 | 0.50 | 0.75 | 42 | empty |
| 3 | 82 | 0.48 | 0.82 | 23 | empty |
| 4 | 54 | 0.36 | 0.79 | 15 | empty |
| 5 | 66 | 0.30 | 0.74 | 22 | empty |
Modifications
Observed in the structure: 3 glycan, 1 disulfide (N-glycosylation, disulfide).
Compared structures
- 2QQU · Crystal structure of a cell-wall invertase (D239A) from Arabidopsis thaliana in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q43866 · AlphaFold monomer V2.0 prediction for beta-fructofuranosidase, insoluble isoenzyme CWINV1… · a predicted model of the same protein · 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 Q43866
- Elsewhere: RCSB PDB 2QQU · PDBe 2QQU · UniProt Q43866
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