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MolNFT v2 · #182878 · protein

Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1730522163 (CHIKV_MacB-x0505)

7H73: “Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal…”. X-ray diffraction at 1.38, 2 ligands (Q7X, CL). MolNFT v2 #182878 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7H73
Type
protein
Length
648 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.38
Source
Chikungunya virus
UniProt
Q8JUX6
Ligands
Q7X, CL

Structure

x-ray diffraction · resolution 1.38 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C—protein163—Q8JUX6
D—protein159—Q8JUX6

Ligands and binding sites

  • Q7X · 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one · ligand · 3 copies · chains A, B, C
  • CL · Chloride ion · ion · 9 copies · chains A, B, C, D
  • DMS · Dimethyl sulfoxide · additive · 14 copies · chains A, C, B, D
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, D

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

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