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MolNFT v1 · #132895 · protein

Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with Z2737076969

5RE8: “Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in complex with Z2737076969”. X-ray diffraction, 1 ligand (T0V). MolNFT v1 #132895 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5RE8
Type
protein
Length
304 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0DTD1
Ligands
T0V

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein304—P0DTD1

Ligands and binding sites

  • T0V · 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine · ligand · chains A
  • DMS · Dimethyl sulfoxide · additive · 3 copies · chains A

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

Compared structures

  • 5RE8 · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in… · the same entry in another collection · chain A against A, TM-score 1.00

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