Research workbench
Phenylacetone monooxygenase: reduced enzyme in complex with apadp
Analyse Phenylacetone monooxygenase: reduced enzyme in complex with apadp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C74
- Type
- protein
- Length
- 531 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, N01
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylacetone monooxygenase (EC 1.14.13.92) | protein | 531 | 36% helix, 18% strand | Q47PU3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- N01 · 3-acetylpyridine adenine dinucleotide · ligand · chains A
- P6G · Hexaethylene glycol · additive · chains A
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 | 930 | 0.86 | 0.88 | 88 | FAD, N01 |
| 2 | 376 | 0.76 | 0.86 | 39 | empty |
| 3 | 53 | 0.44 | 0.84 | 18 | empty |
| 4 | 51 | 0.38 | 0.81 | 13 | empty |
| 5 | 55 | 0.27 | 0.74 | 12 | empty |
Compared structures
- 4C74 · Phenylacetone monooxygenase: Reduced enzyme in complex with APADP · 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 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 Q47PU3
- Elsewhere: RCSB PDB 4C74 · PDBe 4C74 · UniProt Q47PU3
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