MolNFT v1 · #142369 · protein
Mandelate oxidase mutant-Y128F with the N5-benzyl-FMN adduct
6A23 · 4-hydroxymandelate oxidase: “Mandelate oxidase mutant-Y128F with the N5-benzyl-FMN adduct”. X-ray diffraction, 3 ligands (9OU, 173, MG), 3 pockets (best druggability 0.76). MolNFT v1 #142369 on GenesisL1: 3D structure, binding sites…
- PDB
- 6A23
- Type
- protein
- Length
- 333 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
- 9OU, 173, MG
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-hydroxymandelate oxidase (EC 1.1.3.46) | protein | 333 | 45% helix, 14% strand | O52792 |
Ligands and binding sites
- 9OU · 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol · ligand · chains A
- 173 · Benzoyl-formic acid · ligand · chains A
- MG · Magnesium ion · metal · 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 | 300 | 0.76 | 0.88 | 47 | 9OU, MG, 173 |
| 2 | 83 | 0.34 | 0.74 | 15 | empty |
| 3 | 50 | 0.29 | 0.76 | 11 | 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 6A23 · PDBe 6A23 · UniProt O52792
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.