Research workbench
Snapshots of enzymatic baeyer-villiger catalysis: oxygen activation and intermediate stabilization: MET446GLY mutant
Analyse Snapshots of enzymatic baeyer-villiger catalysis: oxygen activation and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2YLZ
- Type
- protein
- Length
- 533 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylacetone monooxygenase
- EC
- 1.14.13.92
- UniProt
- Q47PU3
- Ligands
- FAD, SO4
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylacetone monooxygenase (EC 1.14.13.92) | protein | 533 | 36% helix, 19% strand | Q47PU3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1109 | 0.82 | 0.83 | 98 | FAD, SO4 |
| 2 | 355 | 0.71 | 0.83 | 38 | empty |
| 3 | 56 | 0.34 | 0.78 | 14 | empty |
| 4 | 61 | 0.33 | 0.76 | 11 | empty |
| 5 | 83 | 0.32 | 0.73 | 22 | empty |
Compared structures
- 2YLZ · SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE… · the same entry in another collection · chain A against A, TM-score 1.00
- Q47PU3 · AlphaFold monomer V2.0 prediction for phenylacetone monooxygenase (Q47PU3) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q47PU3
- Elsewhere: RCSB PDB 2YLZ · PDBe 2YLZ · UniProt Q47PU3
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