MolNFT v1 · #142288 · protein
The crystal structure of mandelate oxidase with 3,3-difluoro-2- hydroxy-3-phenylpropionic acid
5ZZT · 4-hydroxymandelate oxidase: “The crystal structure of mandelate oxidase with 3,3-difluoro-2- hydroxy-3-phenylpropionic acid”. X-ray diffraction, 2 ligands (FMN, 9NL), 3 pockets (best druggability 0.74). MolNFT v1 #142288 on…
- PDB
- 5ZZT
- Type
- protein
- Length
- 331 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-hydroxymandelate oxidase
- EC
- 1.1.3.46
- UniProt
- O52792
- Ligands
- FMN, 9NL
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-hydroxymandelate oxidase (EC 1.1.3.46) | protein | 331 | 45% helix, 15% strand | O52792 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- 9NL · (2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.74 | 0.86 | 46 | FMN, 9NL |
| 2 | 105 | 0.38 | 0.75 | 21 | empty |
| 3 | 82 | 0.33 | 0.74 | 15 | empty |
Compared structures
- 5ZZT · The crystal structure of Mandelate oxidase with 3,3-difluoro-2-hydroxy-3-phenylpropionic… · the same entry in another collection · chain A against A, TM-score 1.00
- O52792 · AlphaFold monomer V2.0 prediction for 4-hydroxymandelate oxidase (O52792) · 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 O52792
- Elsewhere: RCSB PDB 5ZZT · PDBe 5ZZT · UniProt O52792
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