MolNFT v1 · #36392 · protein
Crystal structure of a novel fructose 1,6-bisphosphate and ALF3 containing pyrophosphate-dependent phosphofructo-1-kinase complex from borrelia burgdorferi
2F48 · Diphosphate--fructose-6-phosphate 1-phosphotransferase: “Crystal structure of a novel fructose 1,6-bisphosphate and ALF3 containing pyrophosphate-dependent…”. X-ray diffraction, 2 ligands (FBP, AF3), 13 pockets (best druggability…
- PDB
- 2F48
- Type
- protein
- Length
- 1,103 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diphosphate--fructose-6-phosphate 1-phosphotransferase
- EC
- 2.7.1.90
- UniProt
- O51052
- Ligands
- FBP, AF3
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diphosphate--fructose-6-phosphate 1-phosphotransferase (EC 2.7.1.90) | protein | 551 | 46% helix, 16% strand | O51052 |
| B | Diphosphate--fructose-6-phosphate 1-phosphotransferase (EC 2.7.1.90) | protein | 552 | 46% helix, 15% strand | O51052 |
Ligands and binding sites
- FBP · 1,6-di-O-phosphono-beta-D-fructofuranose · ligand · chains A, B
- AF3 · Aluminum fluoride · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 705 | 0.75 | 0.80 | 82 | AF3 |
| 2 | 198 | 0.72 | 0.89 | 39 | FBP |
| 3 | 96 | 0.66 | 0.90 | 24 | empty |
| 4 | 105 | 0.62 | 0.88 | 20 | empty |
| 5 | 290 | 0.62 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 2282 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 2F48 · Crystal Structure of A Novel Fructose 1,6-Bisphosphate and AlF3 containing… · 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 O51052
- Elsewhere: RCSB PDB 2F48 · PDBe 2F48 · UniProt O51052
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