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MolNFT v1 · #169550 · protein

Crystal structure of the SARS-cov-2 (COVID-19) main protease in complex with UAW243

6XFN: “Crystal structure of the SARS-cov-2 (COVID-19) main protease in complex with UAW243”. X-ray diffraction, 3 ligands (UZ7, V1V, APY). MolNFT v1 #169550 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6XFN
Type
protein
Length
305 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0DTD1
Ligands
UZ7, V1V, APY

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein304—P0DTD1
B—protein1——

Ligands and binding sites

  • UZ7 · Phenyl hydrogen carbonate · ligand · chains A, B
  • V1V · (2S,3S)-3-amino-2-hydroxyhexanoic acid · ligand · chains A, B
  • APY · 2-aminomethyl-pyridine · ligand · chains A
  • GOL · Glycerol · additive · chains A

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

Compared structures

  • 6XFN · Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 · the same entry in another collection · chain A against A, TM-score 1.00

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