MolNFT v1 · #73941 · protein
Crystal structure of fructokinase from bacillus subtilis complexed with ADP
3OHR · Putative fructokinase: “Crystal structure of fructokinase from bacillus subtilis complexed with ADP”. X-ray diffraction, 3 ligands (ADP, ZN, SO4), 2 pockets (best druggability 0.68). MolNFT v1 #73941 on GenesisL1: 3D structure…
- PDB
- 3OHR
- Type
- protein
- Length
- 294 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fructokinase
- EC
- 2.7.1.4
- UniProt
- O05510
- Ligands
- ADP, ZN, SO4
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative fructokinase (EC 2.7.1.4) | protein | 294 | 40% helix, 20% strand | O05510 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 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 | 607 | 0.68 | 0.77 | 58 | ADP |
| 2 | 69 | 0.41 | 0.80 | 14 | empty |
Modifications
Observed in the structure: 19 modified (methylation, engineered).
Compared structures
- 3OHR · Crystal structure of fructokinase from bacillus subtilis complexed with ADP · the same entry in another collection · chain A against A, TM-score 1.00
- O05510 · AlphaFold monomer V2.0 prediction for putative fructokinase (O05510) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O05510
- Elsewhere: RCSB PDB 3OHR · PDBe 3OHR · UniProt O05510
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