MolNFT v1 · #6408 · protein
Crystal structure of fructose-1,6-bisphosphatase complexed with fructose 6-phosphate, AMP, and magnesium
1FBP · Fructose 1,6-bisphosphatase: “Crystal structure of fructose-1,6-bisphosphatase complexed with fructose 6-phosphate, AMP, and magnesium”. X-ray diffraction, 3 ligands (F6P, AMP, MG), 7 pockets (best druggability 0.57). MolNFT v1…
- PDB
- 1FBP
- Type
- protein
- Length
- 632 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
- F6P, AMP, MG
- Pockets
- 7 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fructose 1,6-bisphosphatase (EC 3.1.3.11) | protein | 316 | 36% helix, 25% strand | P00636 |
Ligands and binding sites
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · 2 copies · chains A, B
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 247 | 0.57 | 0.79 | 44 | F6P, MG |
| 2 | 203 | 0.55 | 0.79 | 35 | F6P, MG |
| 3 | 150 | 0.51 | 0.79 | 23 | empty |
| 4 | 123 | 0.46 | 0.78 | 25 | AMP |
| 5 | 81 | 0.43 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1983 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 1FBP · Crystal structure of fructose-1,6-bisphosphatase complexed with fructose 6-phosphate… · 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 0.98
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 P00636
- Elsewhere: RCSB PDB 1FBP · PDBe 1FBP · UniProt P00636
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