MolNFT v1 · #137246 · protein
Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13)
5VIO: “Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13)”. X-ray diffraction, 1 ligand (9E4). MolNFT v1 #137246 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5VIO
- Type
- protein
- Length
- 1,084 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q99683
- Ligands
- 9E4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | — | protein | 271 | — | Q99683 |
Ligands and binding sites
- 9E4 · 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2, 4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide · ligand · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5VIO · Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) · the same entry in another collection · chain C against C, 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 A 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 5VIO · PDBe 5VIO · UniProt Q99683
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