MolNFT v1 · #6394 · protein
The crystal structure of fructose-1,6-bisphosphate aldolase from drosophila melanogaster at 2.5 ångströms resolution
1FBA · Fructose 1,6-bisphosphate aldolase: “The crystal structure of fructose-1,6-bisphosphate aldolase from drosophila melanogaster at 2.5 ångströms…”. X-ray diffraction, 1 ligand (ACE), 17 pockets (best druggability 0.92). MolNFT v1…
- PDB
- 1FBA
- Type
- protein
- Length
- 1,440 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose 1,6-bisphosphate aldolase
- EC
- 4.1.2.13
- UniProt
- P07764
- Ligands
- ACE
- Pockets
- 17 · best druggability 0.92
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Fructose 1,6-bisphosphate aldolase (EC 4.1.2.13) | protein | 360 | 44% helix, 15% strand | P07764 |
Ligands and binding sites
- ACE · Acetyl group · ligand · 4 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 983 | 0.92 | 0.96 | 157 | ACE |
| 2 | 418 | 0.74 | 0.84 | 38 | empty |
| 3 | 413 | 0.74 | 0.84 | 33 | empty |
| 4 | 431 | 0.73 | 0.83 | 37 | empty |
| 5 | 395 | 0.72 | 0.84 | 37 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1565 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1561 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 1473 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1469 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 140 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 1FBA · The crystal structure of fructose-1,6-bisphosphate aldolase from drosophila melanogaster… · the same entry in another collection · chain D against D, TM-score 1.00
- P07764 · AlphaFold monomer V2.0 prediction for fructose-bisphosphate aldolase (P07764) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P07764
- Elsewhere: RCSB PDB 1FBA · PDBe 1FBA · UniProt P07764
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