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X-ray crystal structure of listeria monocytogenes egd-E udp-N- acetylenolpyruvylglucosamine reductase (murb)

Analyse X-ray crystal structure of listeria monocytogenes egd-E udp-N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3TX1
Type
protein
Length
295 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-N-acetylenolpyruvoylglucosamine reductase
EC
1.1.1.158
UniProt
Q8Y776
Ligands
FAD, SO4
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUdp-N-acetylenolpyruvoylglucosamine reductase (EC 1.1.1.158)protein29532% helix, 27% strandQ8Y776

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • GOL · Glycerol · 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
17990.770.8187FAD, GOL, SO4

Compared structures

  • 3TX1 · X-ray crystal structure of Listeria monocytogenes EGD-e… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8Y776 · AlphaFold monomer V2.0 prediction for udp-N- acetylenolpyruvoylglucosamine reductase… · a predicted model of the same protein · chain A against A, TM-score 0.99

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