MolNFT v1 · #6861 · protein
Fructose-1,6-bisphosphatase (D-fructose-1,6-bisphosphate 1- phosphohydrolase) complexed with AMP, 2,5-anhydro-D-glucitol-1,6- bisphosphate and potassium ions (100 mm)
1FPI: “Fructose-1,6-bisphosphatase (D-fructose-1,6-bisphosphate 1- phosphohydrolase) complexed with AMP…”. X-ray diffraction, 3 ligands (AMP, AHG, K), 9 pockets (best druggability 0.53). MolNFT v1 #6861 on GenesisL1: 3D structure, binding…
- PDB
- 1FPI
- Type
- protein
- Length
- 634 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphatase
- EC
- 3.1.3.11
- UniProt
- P00636
- Ligands
- AMP, AHG, K
- Pockets
- 9 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fructose-1,6-bisphosphatase (EC 3.1.3.11) | protein | 317 | 38% helix, 25% strand | P00636 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- AHG · 2,5-anhydro-1,6-di-O-phosphono-D-glucitol · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 6 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 196 | 0.53 | 0.78 | 34 | K, AHG |
| 2 | 150 | 0.51 | 0.79 | 23 | empty |
| 3 | 124 | 0.48 | 0.80 | 25 | K, AHG |
| 4 | 120 | 0.44 | 0.77 | 23 | AMP |
| 5 | 101 | 0.43 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2362 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 1FPI · Fructose-1,6-bisphosphatase (D-fructose-1,6-bisphosphate 1-phosphohydrolase) complexed… · the same entry in another collection · chain A against A, TM-score 1.00
- P00636 · AlphaFold monomer V2.0 prediction for fructose-1,6-bisphosphatase 1 (P00636) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P00636
- Elsewhere: RCSB PDB 1FPI · PDBe 1FPI · UniProt P00636
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