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Structure of the complex of discoidin II from dictyostelium discoideum with beta-methyl-galactose

Analyse Structure of the complex of discoidin II from dictyostelium discoideum with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2VMD
Type
protein
Length
252 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Discoidin-2
UniProt
P42530
Ligands
1PG, MBG, CA, CL
Pockets
1 · best druggability 0.27

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADiscoidin-2protein2524% helix, 50% strandP42530

Ligands and binding sites

  • 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · ligand · 2 copies · chains A
  • MBG · methyl beta-D-galactopyranoside · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.270.7315empty

Compared structures

  • 2VMD · Structure of the complex of discoidin II from Dictyostelium discoideum with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P42530 · AlphaFold monomer V2.0 prediction for discoidin-2 (P42530) · a predicted model of the same protein · chain A against A, TM-score 0.98

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