MolNFT v1 · #113112 · protein
Structure of dual function fbpase sbpase from thermosynechococcus elongatus
5A5L · D-fructose 1,6-bisphosphatase class 2/SEDOHEPTULOSE 1,7…: “Structure of dual function fbpase sbpase from thermosynechococcus elongatus”. X-ray diffraction, 3 ligands (VTB, MG, PO4), 3 pockets (best druggability 0.64). MolNFT v1…
- PDB
- 5A5L
- Type
- protein
- Length
- 338 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D-fructose 1,6-bisphosphatase class 2/SEDOHEPTULOSE 1,7- bisphosphatase
- EC
- 3.1.3.37, 3.1.3.11
- UniProt
- Q8DJE9
- Ligands
- VTB, MG, PO4
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | D-fructose 1,6-bisphosphatase class 2/SEDOHEPTULOSE 1,7- bisphosphatase (EC 3.1.3.37, 3.1.3.11) | protein | 338 | 34% helix, 27% strand | Q8DJE9 |
Ligands and binding sites
- VTB · 7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- PO4 · Phosphate ion · ion · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.64 | 0.77 | 46 | PO4, VTB, MG |
| 2 | 100 | 0.53 | 0.83 | 24 | empty |
| 3 | 136 | 0.46 | 0.77 | 24 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5A5L · Structure of dual function FBPase SBPase from Thermosynechococcus elongatus · the same entry in another collection · chain A against A, TM-score 1.00
- Q8DJE9 · AlphaFold monomer V2.0 prediction for D-fructose 1,6-bisphosphatase class 2/SEDOHEPTULOSE… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8DJE9
- Elsewhere: RCSB PDB 5A5L · PDBe 5A5L · UniProt Q8DJE9
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