MolNFT v1 · #6653 · protein
Fructose-1,6-bisphosphatase (mutant Y57W) PRODUCTS/ZN/AMP complex (T- state)
1FJ9: “Fructose-1,6-bisphosphatase (mutant Y57W) PRODUCTS/ZN/AMP complex (T- state)”. X-ray diffraction, 4 ligands (F6P, AMP, ZN), 8 pockets (best druggability 0.54). MolNFT v1 #6653 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1FJ9
- Type
- protein
- Length
- 638 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, ZN, PO4
- Pockets
- 8 · best druggability 0.54
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 | 319 | 38% 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
- ZN · Zinc ion · metal · 4 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 147 | 0.54 | 0.81 | 33 | F6P, ZN, PO4 |
| 2 | 134 | 0.53 | 0.81 | 31 | F6P, ZN, PO4 |
| 3 | 149 | 0.50 | 0.79 | 24 | empty |
| 4 | 172 | 0.48 | 0.76 | 26 | empty |
| 5 | 120 | 0.45 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2435 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 1FJ9 · Fructose-1,6-bisphosphatase (mutant Y57W) PRODUCTS/ZN/AMP complex (T-state) · 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 1FJ9 · PDBe 1FJ9 · UniProt P00636
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