MolNFT v1 · #76063 · protein
The crystal structure of fructose 1,6-bisphosphate aldolase from bacillus anthracis str. 'ames ancestor'
3Q94 · Fructose-bisphosphate aldolase, class II: “The crystal structure of fructose 1,6-bisphosphate aldolase from bacillus anthracis str. 'ames ancestor'”. X-ray diffraction, 3 ligands (13P, ZN, NA), 2 pockets (best druggability 0.55).…
- PDB
- 3Q94
- Type
- protein
- Length
- 562 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-bisphosphate aldolase, class II
- EC
- 4.1.2.13
- UniProt
- Q81JW4
- Ligands
- 13P, ZN, NA
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-bisphosphate aldolase, class II (EC 4.1.2.13) | protein | 285 | 50% helix, 16% strand | Q81JW4 |
| B | Fructose-bisphosphate aldolase, class II (EC 4.1.2.13) | protein | 277 | 51% helix, 16% strand | Q81JW4 |
Ligands and binding sites
- 13P · 1,3-dihydroxyacetonephosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 10 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.55 | 0.76 | 42 | 13P |
| 2 | 157 | 0.48 | 0.78 | 29 | 13P |
Interfaces
1 interface between chains.
- A–B · 1730 Ų buried · 33 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 3Q94 · The crystal structure of fructose 1,6-bisphosphate aldolase from Bacillus anthracis str.… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q81JW4
- Elsewhere: RCSB PDB 3Q94 · PDBe 3Q94 · UniProt Q81JW4
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