MolNFT v1 · #142327 · protein
Mandelate oxidase mutant-Y128F with (S)-mandelic acid
6A0V · 4-hydroxymandelate oxidase: “Mandelate oxidase mutant-Y128F with (S)-mandelic acid”. X-ray diffraction, 2 ligands (SMN, FMN), 3 pockets (best druggability 0.78). MolNFT v1 #142327 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6A0V
- Type
- protein
- Length
- 335 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
- SMN, FMN
- Pockets
- 3 · best druggability 0.78
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 | 335 | 45% helix, 15% strand | O52792 |
Ligands and binding sites
- SMN · (S)-mandelic acid · ligand · 2 copies · chains A
- FMN · Flavin mononucleotide · 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 | 276 | 0.78 | 0.89 | 44 | FMN, SMN |
| 2 | 118 | 0.38 | 0.74 | 24 | empty |
| 3 | 69 | 0.33 | 0.75 | 15 | empty |
Compared structures
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 6A0V · PDBe 6A0V · UniProt O52792
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