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MolNFT v2 · #182061 · protein

Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-f9802937-7 (Mpro-P0141)

7GIW: “Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal…”. X-ray diffraction at 2.45, 1 ligand (QJF). MolNFT v2 #182061 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7GIW
Type
protein
Length
605 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.45
Source
Severe acute respiratory syndrome coronavirus 2
UniProt
P0DTD1
Ligands
QJF

Structure

x-ray diffraction · resolution 2.45 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein300—P0DTD1
B—protein305—P0DTD1

Ligands and binding sites

  • QJF · (4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide · ligand · chains A
  • DMS · Dimethyl sulfoxide · additive · 6 copies · chains A, B

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

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