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Pandda analysis group deposition -- crystal structure of DCP2 (NUDT20) in complex with PB1230873739

Analyse Pandda analysis group deposition -- crystal structure of DCP2 (NUDT20) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5QP7
Type
protein
Length
149 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DCP2 (NUDT20)
EC
3.6.1.62
UniProt
Q8IU60
Ligands
LJJ
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADCP2 (NUDT20) (EC 3.6.1.62)protein14924% helix, 27% strandQ8IU60

Ligands and binding sites

  • LJJ · N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A
  • ACT · Acetate ion · additive · 2 copies · chains A
  • DMS · Dimethyl sulfoxide · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11750.520.7831LJJ

Compared structures

  • 5QP7 · PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IU60 · AlphaFold monomer V2.0 prediction for M7GPPPN-mRNA hydrolase (Q8IU60) · a predicted model of the same protein · chain A against A, TM-score 0.89

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