MolNFT v1 · #142362 · protein
Mandelate oxidase with the enoyl FMN epoxide adduct
6A1W · 4-hydroxymandelate oxidase: “Mandelate oxidase with the enoyl FMN epoxide adduct”. X-ray diffraction, 2 ligands (9P3, MG), 3 pockets (best druggability 0.75). MolNFT v1 #142362 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6A1W
- Type
- protein
- Length
- 334 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
- 9P3, MG
- Pockets
- 3 · 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 | 334 | 45% helix, 14% strand | O52792 |
Ligands and binding sites
- 9P3 · 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol · 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 | 249 | 0.75 | 0.88 | 37 | MG, 9P3 |
| 2 | 116 | 0.38 | 0.74 | 25 | empty |
| 3 | 63 | 0.32 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 6A1W · PDBe 6A1W · UniProt O52792
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