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Glyphosate insensitive G96A mutant epsp synthase liganded with shikimate-3-phosphate

Analyse Glyphosate insensitive G96A mutant epsp synthase liganded with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1MI4
Type
protein
Length
427 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-enolpyruvylshikimate-3-phosphate synthase
EC
2.5.1.19
UniProt
P0A6D3
Ligands
S3P
Pockets
3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5-enolpyruvylshikimate-3-phosphate synthase (EC 2.5.1.19)protein42735% helix, 26% strandP0A6D3

Ligands and binding sites

  • S3P · Shikimate-3-phosphate · ligand · chains A
  • FMT · Formic acid · additive · 14 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1750.730.9826S3P, FMT
2690.320.7514empty
3510.290.7615empty

Compared structures

  • 1MI4 · Glyphosate insensitive G96A mutant EPSP synthase liganded with shikimate-3-phosphate · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A6D3 · AlphaFold monomer V2.0 prediction for 3-phosphoshikimate 1-carboxyvinyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.99

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