MolNFT v2 · #183046 · protein
Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD center -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with RA-0188465-01 (CHIKV_MacB-x2188)
7HIM: “Group deposition of Chikungunya virus nsP3 macrodomain in complex with inhibitors from the READDI-AC AViDD…”. X-ray diffraction at 1.74, 2 ligands (A1BCG, CL). MolNFT v2 #183046 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7HIM
- Type
- protein
- Length
- 648 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.74
- Source
- Chikungunya virus
- UniProt
- Q8JUX6
- Ligands
- A1BCG, CL
Structure
x-ray diffraction · resolution 1.74 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | — | protein | 163 | — | Q8JUX6 |
| D | — | protein | 159 | — | Q8JUX6 |
Ligands and binding sites
- A1BCG · 2-(2-oxopyridin-1(2H)-yl)ethyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate · ligand · chains A
- CL · Chloride ion · ion · 10 copies · chains A, B, C, D
- DMS · Dimethyl sulfoxide · additive · 19 copies · chains A, C, B, 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 7HIM · PDBe 7HIM · UniProt Q8JUX6
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