Research workbench
The crystal structure of mandelate oxidase R163L with 2-hydroxy- phenylacetamide
Analyse The crystal structure of mandelate oxidase R163L with 2-hydroxy- phenylacetamide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6A3T
- 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
- 9Q0
- 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 | 334 | 45% helix, 14% strand | O52792 |
Ligands and binding sites
- 9Q0 · 1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-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 | 303 | 0.76 | 0.88 | 47 | 9Q0 |
| 2 | 97 | 0.38 | 0.75 | 23 | empty |
| 3 | 52 | 0.26 | 0.74 | 9 | empty |
Compared structures
- 6A3T · The crystal structure of Mandelate oxidase R163L with 2-hydroxy-phenylacetamide · 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 6A3T · PDBe 6A3T · UniProt O52792
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