Research workbench
The structure of a putative tagatose 1,6-aldolase from streptococcus mutans
Analyse The structure of a putative tagatose 1,6-aldolase from streptococcus mutans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IV3
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tagatose 1,6-diphosphate aldolase 2
- EC
- 4.1.2.40
- UniProt
- Q8DWE5
- Ligands
- K, PO4
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tagatose 1,6-diphosphate aldolase 2 (EC 4.1.2.40) | protein | 329 | 48% helix, 16% strand | Q8DWE5 |
Ligands and binding sites
- K · Potassium ion · metal · 2 copies · chains A
- PO4 · Phosphate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A
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 | 378 | 0.66 | 0.80 | 47 | PO4, EDO |
| 2 | 112 | 0.43 | 0.77 | 20 | EDO |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 3IV3 · The Structure of a putative tagatose 1,6-aldolase from Streptococcus mutans · the same entry in another collection · chain A against A, TM-score 1.00
- Q8DWE5 · AlphaFold monomer V2.0 prediction for tagatose 1,6-diphosphate aldolase 2 (Q8DWE5) · a predicted model of the same protein · 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 Q8DWE5
- Elsewhere: RCSB PDB 3IV3 · PDBe 3IV3 · UniProt Q8DWE5
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