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Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with Z373768898

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
5SLP
Type
protein
Length
465 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
UWY, ZN, PO4
Pockets
6 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DProofreading exoribonuclease NSP14 (EC 3.1.13.-)protein46529% helix, 21% strandP0DTD1

Ligands and binding sites

  • UWY · N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide · ligand · 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
13990.690.8138empty
21800.480.7630empty
3640.380.7921PO4
4590.310.7511PO4
5560.300.7513empty

Compared structures

  • 5SLP · 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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