MolNFT v1 · #55389 · protein
Triazolopyridine inhibitors of P38
2YIX · Mitogen-activated protein kinase 14: “Triazolopyridine inhibitors of P38”. X-ray diffraction, 1 ligand (YIX), 3 pockets (best druggability 0.73). MolNFT v1 #55389 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2YIX
- Type
- protein
- Length
- 351 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 14
- EC
- 2.7.11.24
- UniProt
- Q16539
- Ligands
- YIX
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 351 | 40% helix, 13% strand | Q16539 |
Ligands and binding sites
- YIX · 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 410 | 0.73 | 0.83 | 50 | YIX |
| 2 | 125 | 0.41 | 0.75 | 19 | empty |
| 3 | 108 | 0.39 | 0.75 | 19 | empty |
Compared structures
- 2YIX · Triazolopyridine Inhibitors of p38 · 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 Q16539
- Elsewhere: RCSB PDB 2YIX · PDBe 2YIX · UniProt Q16539
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.