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Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with Z256709556

Analyse Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5SL6
Type
protein
Length
455 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proofreading exoribonuclease NSP14
EC
3.1.13.-
UniProt
P0DTD1
Ligands
60P, ZN, PO4
Pockets
6 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DProofreading exoribonuclease NSP14 (EC 3.1.13.-)protein45529% helix, 22% strandP0DTD1

Ligands and binding sites

  • 60P · 3-methylthiophene-2-carboxylic acid · ligand · 2 copies · chains D
  • ZN · Zinc ion · metal · 3 copies · chains D
  • PO4 · Phosphate ion · ion · 2 copies · chains D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14140.690.8136empty
21890.490.7629empty
3680.370.7819PO4
4640.320.7613empty
5530.310.7611PO4

Compared structures

  • 5SL6 · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with… · the same entry in another collection · chain D against D, TM-score 1.00

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