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2.6 ångström structure of W45F/H46S GLYOXYLATE/HYDROXYPYRUVATE reductase a from escherichia COLI in complex with glyoxylate and NADP

Analyse 2.6 ångström structure of W45F/H46S GLYOXYLATE/HYDROXYPYRUVATE reductase a from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OXN
Type
protein
Length
312 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GLYOXYLATE/HYDROXYPYRUVATE reductase a
EC
1.1.1.79, 1.1.1.81
UniProt
A0A140NAE3
Ligands
NAP, GLV, NA
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGLYOXYLATE/HYDROXYPYRUVATE reductase a (EC 1.1.1.79, 1.1.1.81)protein31236% helix, 17% strandA0A140NAE3

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • GLV · Glyoxylic acid · ligand · chains A
  • NA · Sodium ion · metal · 3 copies · chains A
  • GOL · Glycerol · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15030.730.8265NAP, GLV, NA
2640.310.7514empty

Compared structures

  • 6OXN · 2.6 Angstrom structure of W45F/H46S Glyoxylate/Hydroxypyruvate reductase A from… · the same entry in another collection · chain A against A, TM-score 1.00

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