MolNFT v1 · #142440 · protein
Mandelate oxidase mutant-Y128F with the peroxide FMN adduct
6A4H · 4-hydroxymandelate oxidase: “Mandelate oxidase mutant-Y128F with the peroxide FMN adduct”. X-ray diffraction, 1 ligand (9QF), 2 pockets (best druggability 0.75). MolNFT v1 #142440 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6A4H
- Type
- protein
- Length
- 329 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
- 9QF
- Pockets
- 2 · best druggability 0.75
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 | 329 | 45% helix, 14% strand | O52792 |
Ligands and binding sites
- 9QF · [(2~{R},3~{S},4~{S})-5-[(4~{a}~{S})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate · ligand · 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 | 289 | 0.75 | 0.87 | 40 | 9QF |
| 2 | 98 | 0.36 | 0.74 | 22 | 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 6A4H · PDBe 6A4H · UniProt O52792
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