MolNFT v2 · #182904 · protein
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z385370362 (CHIKV_MacB-x0969)
7H7T: “Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal…”. X-ray diffraction at 1.34, 2 ligands (A1AQC, CL). MolNFT v2 #182904 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7H7T
- Type
- protein
- Length
- 648 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.34
- Source
- Chikungunya virus
- UniProt
- Q8JUX6
- Ligands
- A1AQC, CL
Structure
x-ray diffraction · resolution 1.34 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | — | protein | 163 | — | Q8JUX6 |
| D | — | protein | 159 | — | Q8JUX6 |
Ligands and binding sites
- A1AQC · (2,3-dihydro-1-benzofuran-5-yl)methanol · ligand · 6 copies · chains A, B, C, D
- CL · Chloride ion · ion · 9 copies · chains A, B, C, D
- DMS · Dimethyl sulfoxide · additive · 18 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.
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8JUX6
- Elsewhere: RCSB PDB 7H7T · PDBe 7H7T · UniProt Q8JUX6
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