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OYE2.6 Y78W, I113C

Analyse OYE2.6 Y78W, I113C in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4M5P
Type
protein
Length
404 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NADPH dehydrogenase
UniProt
A3LT82
Ligands
FMN, 23W, NA
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANADPH dehydrogenaseprotein40441% helix, 15% strandA3LT82

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · chains A
  • 23W · methyl 2-(hydroxymethyl)prop-2-enoate · ligand · chains A
  • NA · Sodium ion · metal · 3 copies · chains A
  • MLA · Malonic acid · additive · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12690.770.9041FMN, MLA, 23W

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 4M5P · OYE2.6 Y78W, I113C · the same entry in another collection · chain A against A, TM-score 1.00

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