MolNFT v1 · #142309 · protein
The crystal structure of mandelate oxidase mutant Y128F with (S)-2- phenylpropanoic acid
6A0D · 4-hydroxymandelate oxidase: “The crystal structure of mandelate oxidase mutant Y128F with (S)-2- phenylpropanoic acid”. X-ray diffraction, 2 ligands (9RW, FMN), 3 pockets (best druggability 0.76). MolNFT v1 #142309 on GenesisL1: 3D…
- PDB
- 6A0D
- 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
- 9RW, FMN
- Pockets
- 3 · best druggability 0.76
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 | 327 | 45% helix, 15% strand | O52792 |
Ligands and binding sites
- 9RW · (2~{S})-2-phenylpropanoic 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 | 351 | 0.76 | 0.86 | 49 | FMN, 9RW |
| 2 | 75 | 0.33 | 0.75 | 15 | empty |
| 3 | 56 | 0.31 | 0.75 | 13 | empty |
Compared structures
- 6A0D · The crystal structure of Mandelate oxidase mutant Y128F with (S)-2-phenylpropanoic acid · 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 6A0D · PDBe 6A0D · UniProt O52792
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