MolNFT v1 · #171887 · protein
Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity
6ZJZ: “Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity”. X-ray diffraction, 4 ligands (QLH, NAG, MAN). MolNFT v1 #171887 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6ZJZ
- Type
- protein
- Length
- 1,477 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9NR97
- Ligands
- QLH, NAG, MAN, BMA
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 737 | — | Q9NR97 |
| B | — | protein | 740 | — | Q9NR97 |
Ligands and binding sites
- QLH · 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 21 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 10 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 6 copies · chains A, B
- FMT · Formic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6ZJZ · Discovery of M5049: a novel selective TLR7/8 inhibitor for treatment of autoimmunity · 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 Q9NR97
- Elsewhere: RCSB PDB 6ZJZ · PDBe 6ZJZ · UniProt Q9NR97
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