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The crystal structure of a degv family protein from eubacterium eligens loaded with heptadecanoic acid to 1.80 ångström resolution (alternative refinement of pdb 3FDJ with heptadecanoic acid)

Analyse The crystal structure of a degv family protein from eubacterium eligens loaded… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UXY
Type
protein
Length
276 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Degv family protein
UniProt
D0VX07
Ligands
X90, NA
Pockets
3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADegv family proteinprotein27640% helix, 25% strandD0VX07

Ligands and binding sites

  • X90 · heptadecanoic acid · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • ACY · Acetic acid · additive · 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
11590.790.9530X90
2880.400.7816empty
3590.320.7713empty

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

  • 5UXY · The crystal structure of a DegV family protein from Eubacterium eligens loaded with… · the same entry in another collection · chain A against A, TM-score 1.00

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