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Crystal structure of oxidized shewanella yellow enzyme 4 (SYE4) in complex with P-methylphenol

Analyse Crystal structure of oxidized shewanella yellow enzyme 4 (SYE4) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5K1Q
Type
protein
Length
347 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NAD(P)H:FLAVIN oxidoreductase SYE4
EC
1.5.1.30
UniProt
Q8EBV3
Ligands
PCR, FMN
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANAD(P)H:FLAVIN oxidoreductase SYE4 (EC 1.5.1.30)protein34739% helix, 16% strandQ8EBV3

Ligands and binding sites

  • PCR · P-cresol · ligand · 6 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

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14060.690.8139FMN, PCR
2570.370.7915empty

Compared structures

  • 5K1Q · Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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