MolNFT v1 · #142409 · protein
The crystal structure of mandelate oxidase Y128F with 4-br-2-hydroxy- methylphenylacetate
6A3D · 4-hydroxymandelate oxidase: “The crystal structure of mandelate oxidase Y128F with 4-br-2-hydroxy- methylphenylacetate”. X-ray diffraction, 1 ligand (9PX), 3 pockets (best druggability 0.76). MolNFT v1 #142409 on GenesisL1: 3D…
- PDB
- 6A3D
- Type
- protein
- Length
- 327 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
- 9PX
- 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 | 327 | 45% helix, 14% strand | O52792 |
Ligands and binding sites
- 9PX · 1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol · 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 | 277 | 0.76 | 0.89 | 46 | 9PX |
| 2 | 50 | 0.30 | 0.75 | 12 | empty |
| 3 | 53 | 0.26 | 0.73 | 12 | empty |
Compared structures
- 6A3D · The crystal structure of Mandelate oxidase Y128F with 4-Br-2-hydroxy-methylphenylacetate · 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 6A3D · PDBe 6A3D · UniProt O52792
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.