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Crystal structure of putative isopropylamlate dehydrogenase from campylobacter jejuni

Analyse Crystal structure of putative isopropylamlate dehydrogenase from campylobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UDO
Type
protein
Length
355 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-isopropylmalate dehydrogenase
EC
1.1.1.85
UniProt
Q9PLW0
Ligands
SO4
Pockets
3 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-isopropylmalate dehydrogenase (EC 1.1.1.85)protein35549% helix, 19% strandQ9PLW0

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A
  • EDO · 1,2-ethanediol · additive · 2 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
13180.630.7938EDO
2870.470.8119EDO
31430.470.7827SO4

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3UDO · Crystal structure of putative isopropylamlate dehydrogenase from Campylobacter jejuni · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9PLW0 · AlphaFold monomer V2.0 prediction for 3-isopropylmalate dehydrogenase (Q9PLW0) · a predicted model of the same protein · chain A against A, TM-score 1.00

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