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MolNFT v1 · #173923 · protein

Crystal structure of SARS-cov-2 macrodomain in complex with remdesivir metabolite gs-441524

7BF6: “Crystal structure of SARS-cov-2 macrodomain in complex with remdesivir metabolite gs-441524”. X-ray diffraction, 1 ligand (U08). MolNFT v1 #173923 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7BF6
Type
protein
Length
507 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0DTD1
Ligands
U08

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein169—P0DTD1
B—protein171—P0DTD1
C—protein167—P0DTD1

Ligands and binding sites

  • U08 · (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-F][1, 2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl) oxolane-2-carbonitrile · ligand · 3 copies · chains A, B, C
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A, C

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

Compared structures

  • 7BF6 · Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite… · the same entry in another collection · chain A against A, TM-score 1.00

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