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MolNFT v1 · #169384 · protein

SARS cov-2 plpro in complex with ISG15 C-terminal domain propargylamide

6XA9: “SARS cov-2 plpro in complex with ISG15 C-terminal domain propargylamide”. X-ray diffraction, 2 ligands (AYE, ZN). MolNFT v1 #169384 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6XA9
Type
protein
Length
1,168 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0DTD1, P05161
Ligands
AYE, ZN

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein313—P0DTD1
B—protein79—P05161
D, F—protein78—P05161
E—protein307—P0DTD1

Ligands and binding sites

  • AYE · prop-2-en-1-amine · ligand · 3 copies · chains A, B, C, D, E, F
  • ZN · Zinc ion · metal · 3 copies · chains A, C, E
  • GOL · Glycerol · additive · 8 copies · chains A, C, E

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

Compared structures

  • 6XA9 · SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide · the same entry in another collection · chain F against F, TM-score 1.00
  • P05161 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein ISG15 (P05161) · a predicted model of the same protein · chain B against A, TM-score 0.96

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