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MolNFT v1 · #133914 · protein

Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with Z198195770

5SLF · Proofreading exoribonuclease NSP14: “Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with Z198195770”. X-ray diffraction, 3 ligands (LJA, ZN, PO4), 6 pockets (best druggability 0.70). MolNFT v1…

PDB
5SLF
Type
protein
Length
461 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
LJA, ZN, PO4
Pockets
6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DProofreading exoribonuclease NSP14 (EC 3.1.13.-)protein46130% helix, 21% strandP0DTD1

Ligands and binding sites

  • LJA · N-[3-(carbamoylamino)phenyl]acetamide · 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
14340.700.8133LJA
21880.490.7629empty
3790.370.7720LJA
4690.330.7613empty
5690.300.7416empty

Compared structures

  • 5SLF · 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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