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Structure of giardia fructose-1,6-biphosphate aldolase in complex with tagatose-1,6-biphosphate
Analyse Structure of giardia fructose-1,6-biphosphate aldolase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GAY
- Type
- protein
- Length
- 637 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-bisphosphate aldolase
- EC
- 4.1.2.13
- UniProt
- O97447
- Ligands
- P6T, ZN
- Pockets
- 5 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-bisphosphate aldolase (EC 4.1.2.13) | protein | 319 | 49% helix, 14% strand | O97447 |
| B | Fructose-bisphosphate aldolase (EC 4.1.2.13) | protein | 318 | 49% helix, 14% strand | O97447 |
Ligands and binding sites
- P6T · 1,6-di-O-phosphono-D-tagatose · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.48 | 0.81 | 26 | ZN, P6T |
| 2 | 97 | 0.45 | 0.80 | 23 | ZN, P6T |
| 3 | 65 | 0.29 | 0.73 | 23 | empty |
| 4 | 51 | 0.28 | 0.75 | 13 | empty |
| 5 | 58 | 0.27 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2236 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 3GAY · Structure of Giardia fructose-1,6-biphosphate aldolase in complex with… · 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 O97447
- Elsewhere: RCSB PDB 3GAY · PDBe 3GAY · UniProt O97447
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