GL1X · GenesisL1 explorer

MolNFT v1 · #128183 · protein

Glucose oxydase mutant A2

5NIW · Glucose oxidase: “Glucose oxydase mutant A2”. X-ray diffraction, 4 ligands (FAD, NAG, BMA), 1 pocket (best druggability 0.85). MolNFT v1 #128183 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5NIW
Type
protein
Length
578 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucose oxidase
EC
1.1.3.4
UniProt
P13006
Ligands
FAD, NAG, BMA, OXY
Pockets
1 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlucose oxidase (EC 1.1.3.4)protein57834% helix, 24% strandP13006

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
  • BMA · beta-D-mannopyranose · sugar
  • OXY · Oxygen molecule · ion · chains A
  • DIO · 1,4-diethylene dioxide · additive · 12 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
  • P4C · O-acetaldehydyl-hexaethylene glycol · additive · 2 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
16170.850.8992FAD, OXY

Modifications

Observed in the structure: 6 glycan, 1 disulfide (N-glycosylation, disulfide).

Compared structures

  • 5NIW · Glucose oxydase mutant A2 · the same entry in another collection · chain A against A, TM-score 1.00
  • P13006 · AlphaFold monomer V2.0 prediction for glucose oxidase (P13006) · a predicted model of the same protein · chain A against A, TM-score 1.00

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