MolNFT v1 · #118146 · protein
Human muscle fructose-1,6-bisphosphatase in inactive T-state in complex with AMP
5ET6 · Fructose-1,6-bisphosphatase isozyme 2: “Human muscle fructose-1,6-bisphosphatase in inactive T-state in complex with AMP”. X-ray diffraction, 1 ligand (AMP), 20 pockets (best druggability 0.68). MolNFT v1 #118146 on GenesisL1: 3D…
- PDB
- 5ET6
- Type
- protein
- Length
- 1,267 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphatase isozyme 2
- EC
- 3.1.3.11
- UniProt
- O00757
- Ligands
- AMP
- Pockets
- 20 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-1,6-bisphosphatase isozyme 2 (EC 3.1.3.11) | protein | 320 | 40% helix, 24% strand | O00757 |
| C | Fructose-1,6-bisphosphatase isozyme 2 (EC 3.1.3.11) | protein | 317 | 39% helix, 26% strand | O00757 |
| B, D | Fructose-1,6-bisphosphatase isozyme 2 (EC 3.1.3.11) | protein | 315 | 39% helix, 25% strand | O00757 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 4 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.68 | 0.79 | 74 | AMP |
| 2 | 165 | 0.53 | 0.80 | 31 | AMP |
| 3 | 258 | 0.50 | 0.75 | 28 | empty |
| 4 | 103 | 0.49 | 0.81 | 24 | AMP |
| 5 | 105 | 0.48 | 0.80 | 22 | AMP |
Interfaces
3 interfaces between chains.
- C–D · 1239 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1238 Ų buried · 28 hydrogen bonds · protein-protein
- A–C · 925 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 5ET6 · Human muscle fructose-1,6-bisphosphatase in inactive T-state in complex with AMP · the same entry in another collection · chain D against D, TM-score 1.00
- O00757 · AlphaFold monomer V2.0 prediction for fructose-1,6-bisphosphatase isozyme 2 (O00757) · a predicted model of the same protein · chain D against A, TM-score 0.96
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 O00757
- Elsewhere: RCSB PDB 5ET6 · PDBe 5ET6 · UniProt O00757
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