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SARS-cov-2 mpro mutant (H41A) in complex with NSP15|16 peptidyl substrate

Analyse SARS-cov-2 mpro mutant (H41A) in complex with NSP15|16 peptidyl substrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DW0
Type
protein
Length
308 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3C-like proteinase; NSP15/16 peptidyl substrate
EC
3.4.22.69
UniProt
P0DTD1
Pockets
1 · best druggability 0.36

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3C-like proteinase (EC 3.4.22.69)protein30026% helix, 29% strandP0DTD1
CNSP15/16 peptidyl substrateprotein80% helix, 25% strandP0DTD1

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1980.360.7421empty

Interfaces

1 interface between chains.

  • A–C · 771 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 7DW0 · SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate · the same entry in another collection · chain A against A, TM-score 1.00

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