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Bacteroidetes AC2A susd-like

Analyse Bacteroidetes AC2A susd-like in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DK2
Type
protein
Length
1,031 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Susd
UniProt
A0A076ML24
Ligands
SO4, CL
Pockets
13 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASusdprotein51653% helix, 4% strandA0A076ML24
BSusdprotein51554% helix, 4% strandA0A076ML24

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 14 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 28 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16100.710.7958EDO, CL
21570.560.8117empty
31740.540.7920empty
4580.450.8418empty
5890.430.8026empty

Interfaces

1 interface between chains.

  • A–B · 545 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6DK2 · Bacteroidetes AC2a SusD-like · the same entry in another collection · chain A against A, TM-score 1.00

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