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MolNFT v1 · #176901 · protein

Crystal structure of sar-cov-2 3CL protease complex with inhibitor yh- 53

7E18: “Crystal structure of sar-cov-2 3CL protease complex with inhibitor yh- 53”. X-ray diffraction, 1 ligand (HUR). MolNFT v1 #176901 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7E18
Type
protein
Length
303 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0DTD1
Ligands
HUR

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein303—P0DTD1

Ligands and binding sites

  • HUR · N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A

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

Compared structures

  • 7E18 · Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor YH-53 · the same entry in another collection · chain A against A, TM-score 1.00

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