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Room temperature in-situ SARS-cov-2 mpro with bound abt-957

Analyse Room temperature in-situ SARS-cov-2 mpro with bound abt-957 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7QT8
Type
protein
Length
610 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0DTD1
Ligands
R8H

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein305—P0DTD1

Ligands and binding sites

  • R8H · (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino) butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide · ligand · 2 copies · chains A, B

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

Compared structures

  • 7QT8 · Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957 · the same entry in another collection · chain A against A, TM-score 1.00

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