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MolNFT v1 · #133913 · protein

Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with Z56880342

5SLE · Proofreading exoribonuclease NSP14: “Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with Z56880342”. X-ray diffraction, 3 ligands (JGA, ZN, PO4), 5 pockets (best druggability 0.69). MolNFT v1…

PDB
5SLE
Type
protein
Length
459 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
JGA, ZN, PO4
Pockets
5 · 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.-)protein45929% helix, 21% strandP0DTD1

Ligands and binding sites

  • JGA · N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14010.690.8137JGA
21860.500.7731empty
3790.390.7822PO4
4680.340.7613empty
5730.290.7318empty

Compared structures

  • 5SLE · 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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