Research workbench
Crystal structure of AMP complexes of porcine liver fructose-1,6- bisphosphatase with filled central cavity
Analyse Crystal structure of AMP complexes of porcine liver fructose-1,6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GWS
- Type
- protein
- Length
- 654 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphatase 1
- EC
- 3.1.3.11
- UniProt
- P00636
- Ligands
- F6P, AMP, MG, PO4
- Pockets
- 8 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11) | protein | 327 | 35% helix, 24% 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
- 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 308 | 0.58 | 0.77 | 34 | empty |
| 2 | 139 | 0.51 | 0.80 | 26 | F6P, PO4 |
| 3 | 203 | 0.51 | 0.76 | 28 | empty |
| 4 | 121 | 0.50 | 0.81 | 22 | F6P, PO4 |
| 5 | 171 | 0.48 | 0.76 | 31 | AMP |
Interfaces
1 interface between chains.
- A–B · 2417 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 4GWS · Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase with… · 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 A against A, TM-score 0.95
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 4GWS · PDBe 4GWS · UniProt P00636
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