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DfgA-DfgB complex apo 2.4 angstrom

Analyse DfgA-DfgB complex apo 2.4 angstrom in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EXB
Type
protein
Length
441 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.4
Source
[Eubacterium] cellulosolvens 6
Molecule
Sugar phosphate isomerase/epimerase; DfgB
UniProt
I5AX50, I5AX49
Ligands
MN, SO4
Pockets
5 · best druggability 0.76

Structure

x-ray diffraction · resolution 2.4 · 2 distinct chains · 32% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASugar phosphate isomerase/epimeraseprotein29042% helix, 18% strandI5AX50
BDfgBprotein15113% helix, 38% strandI5AX49

Ligands and binding sites

  • MN · Manganese (II) ion · metal · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16670.760.8157empty
21780.580.8138empty
31430.570.8332empty
41210.430.7626empty
51120.370.7325empty

Interfaces

1 interface between chains.

  • A–B · 1203 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 7EXB · Dfga-dfgb complex apo 2.4 ångström · the same entry in another collection · chain A against A, TM-score 1.00

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