MolNFT v1 · #106747 · protein
Methicillin-resistant staphylococcus aureus class iib fructose 1,6- bisphosphate aldolase
4TO8 · Fructose-1,6-bisphosphate aldolase, class II: “Methicillin-resistant staphylococcus aureus class iib fructose 1,6- bisphosphate aldolase”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.49). MolNFT v1 #106747 on…
- PDB
- 4TO8
- Type
- protein
- Length
- 557 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphate aldolase, class II
- EC
- 4.1.2.13
- UniProt
- W8TRN9
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-1,6-bisphosphate aldolase, class II (EC 4.1.2.13) | protein | 279 | 51% helix, 17% strand | W8TRN9 |
| B | Fructose-1,6-bisphosphate aldolase, class II (EC 4.1.2.13) | protein | 278 | 52% helix, 17% strand | W8TRN9 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- FLC · Citrate anion · additive · 2 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 184 | 0.49 | 0.77 | 30 | ZN, FLC |
| 2 | 182 | 0.49 | 0.77 | 28 | ZN, FLC |
Interfaces
1 interface between chains.
- A–B · 1871 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 4TO8 · Methicillin-Resistant Staphylococcus Aureus Class IIb Fructose 1,6-Bisphosphate Aldolase · 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 W8TRN9
- Elsewhere: RCSB PDB 4TO8 · PDBe 4TO8 · UniProt W8TRN9
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