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Crystal structure of degv family protein CG2579 from corynebacterium glutamicum

Analyse Crystal structure of degv family protein CG2579 from corynebacterium glutamicum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3EGL
Type
protein
Length
793 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Degv family protein
UniProt
Q8NN60
Ligands
PLM
Pockets
12 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADegv family proteinprotein26440% helix, 23% strandQ8NN60
BDegv family proteinprotein26641% helix, 24% strandQ8NN60
CDegv family proteinprotein26340% helix, 22% strandQ8NN60

Ligands and binding sites

  • PLM · Palmitic acid · ligand · 3 copies · chains A, B, C
  • FMT · Formic acid · additive · chains C

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

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11630.800.9533PLM
21430.790.9635PLM
31510.790.9530PLM
45170.670.7866empty
53890.630.7842empty

Interfaces

3 interfaces between chains.

  • A–B · 545 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 388 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 173 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 51 modified (engineered, methylation).

Compared structures

  • 3EGL · Crystal Structure of DegV Family Protein Cg2579 from Corynebacterium glutamicum · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8NN60 · AlphaFold monomer V2.0 prediction for degv domain-containing protein CGL2349/CG2579… · a predicted model of the same protein · chain C against A, TM-score 0.98

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