MolNFT v1 · #136304 · protein
Structure-based design of ASK1 inhibitors as potential first-in-class agents for heart failure
5UOR: “Structure-based design of ASK1 inhibitors as potential first-in-class agents for heart failure”. X-ray diffraction, 2 ligands (8GV, SO4). MolNFT v1 #136304 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5UOR
- Type
- protein
- Length
- 511 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q99683
- Ligands
- 8GV, SO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 249 | — | Q99683 |
| B | — | protein | 262 | — | Q99683 |
Ligands and binding sites
- 8GV · 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5UOR · Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart… · the same entry in another collection · chain A against A, TM-score 1.00
- Q99683 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 5… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q99683
- Elsewhere: RCSB PDB 5UOR · PDBe 5UOR · UniProt Q99683
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.