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Crystal structure of the oxidized shewanella yellow enzyme 1 (SYE1) M25L mutant in complex with para-chlorophenol
Analyse Crystal structure of the oxidized shewanella yellow enzyme 1 (SYE1) M25L mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AWU
- Type
- protein
- Length
- 364 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, FMN-binding
- EC
- 1.6.99.1
- UniProt
- Q8EEC8
- Ligands
- 4CH, FMN, SO4
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, FMN-binding (EC 1.6.99.1) | protein | 364 | 37% helix, 18% strand | Q8EEC8 |
Ligands and binding sites
- 4CH · 4-chlorophenol · ligand · 3 copies · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 394 | 0.78 | 0.87 | 48 | FMN, 4CH |
| 2 | 74 | 0.30 | 0.73 | 18 | empty |
Compared structures
- 4AWU · Crystal structure of the oxidized Shewanella Yellow Enzyme 1 (SYE1) M25L mutant in… · the same entry in another collection · 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 Q8EEC8
- Elsewhere: RCSB PDB 4AWU · PDBe 4AWU · UniProt Q8EEC8
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