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MolNFT v1 · #186492 · protein

Structure of SARS-cov-2 main protease in complex with a covalent inhibitor

7RFS: “Structure of SARS-cov-2 main protease in complex with a covalent inhibitor”. X-ray diffraction, 1 ligand (4WI). MolNFT v1 #186492 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7RFS
Type
protein
Length
306 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0DTD1
Ligands
4WI

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein306—P0DTD1

Ligands and binding sites

  • 4WI · (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide · ligand · chains A

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

Compared structures

  • 7RFS · Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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