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Structural and biochemical characterization of diaminopimelate epimerase from Pseudomonas aeruginosa

Analyse Structural and biochemical characterization of diaminopimelate epimerase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
8QZY
Type
protein
Length
554 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.69
Source
Pseudomonas aeruginosa PA14
Molecule
Diaminopimelate epimerase
EC
5.1.1.7
UniProt
Q02E84
Pockets
3 · best druggability 0.59

Structure

x-ray diffraction · resolution 1.69 · 2 distinct chains · 17% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADiaminopimelate epimerase (EC 5.1.1.7)protein27618% helix, 41% strandQ02E84
BDiaminopimelate epimerase (EC 5.1.1.7)protein27817% helix, 40% strandQ02E84

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13240.590.7738empty
22380.590.8029empty
31120.430.7826empty

Interfaces

1 interface between chains.

  • A–B · 767 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • Q02E84 · AlphaFold monomer V2.0 prediction for diaminopimelate epimerase (Q02E84) · a predicted model of the same protein · chain A against A, TM-score 0.98

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