Research workbench
Structure of giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone
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
- 3OHI
- Type
- protein
- Length
- 637 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fructose-1,6-bisphosphate aldolase
- EC
- 4.1.2.13
- UniProt
- O97447
- Ligands
- HDX, ZN
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative fructose-1,6-bisphosphate aldolase (EC 4.1.2.13) | protein | 319 | 49% helix, 14% strand | O97447 |
| B | Putative fructose-1,6-bisphosphate aldolase (EC 4.1.2.13) | protein | 318 | 49% helix, 13% strand | O97447 |
Ligands and binding sites
- HDX · ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid · 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
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 | 81 | 0.44 | 0.81 | 21 | ZN, HDX |
| 2 | 84 | 0.41 | 0.79 | 22 | ZN, HDX |
Interfaces
1 interface between chains.
- A–B · 2235 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3OHI · 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 3OHI · PDBe 3OHI · UniProt O97447
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.