MolNFT v1 · #185812 · protein
SARS-cov-2 macrodomain NSP3B bound to the remdesivir nucleoside gs- 441524
7QG7: “SARS-cov-2 macrodomain NSP3B bound to the remdesivir nucleoside gs- 441524”. X-ray diffraction, 1 ligand (U08). MolNFT v1 #185812 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7QG7
- Type
- protein
- Length
- 339 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- U08
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 170 | — | P0DTD1 |
| B | — | protein | 169 | — | 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 · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7QG7 · SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524 · the same entry in another collection · chain A against A, TM-score 1.00
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 P0DTD1
- Elsewhere: RCSB PDB 7QG7 · PDBe 7QG7 · UniProt P0DTD1
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