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MolNFT v1 · #176529 · protein

SARS-cov-2 3CL protease (3CLPRO) in complex with 7-O-methyl-myricetin

7DPU: “SARS-cov-2 3CL protease (3CLPRO) in complex with 7-O-methyl-myricetin”. X-ray diffraction, 1 ligand (HER). MolNFT v1 #176529 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7DPU
Type
protein
Length
610 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0DTC1
Ligands
HER

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein304—P0DTC1
B—protein306—P0DTC1

Ligands and binding sites

  • HER · 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl) phenyl]chromen-4-one · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Compared structures

  • 7DPU · SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin · the same entry in another collection · chain A against A, TM-score 1.00

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