Research workbench
p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12
Analyse p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5OMG
- Type
- protein
- Length
- 337 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Homo sapiens
- Molecule
- Mitogen-activated protein kinase 14
- EC
- 2.7.11.24
- UniProt
- Q16539
- Ligands
- 9Y8
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · resolution 2 · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 337 | 39% helix, 16% strand | Q16539 |
Ligands and binding sites
- 9Y8 · 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide · ligand · chains A
- BOG · octyl beta-D-glucopyranoside · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 267 | 0.71 | 0.85 | 44 | 9Y8 |
| 2 | 199 | 0.66 | 0.85 | 28 | BOG |
| 3 | 200 | 0.63 | 0.83 | 31 | empty |
| 4 | 126 | 0.41 | 0.75 | 16 | empty |
| 5 | 59 | 0.31 | 0.75 | 13 | empty |
Compared structures
- 5OMG · P38ALPHA in complex with pyrazolobenzothiazine inhibitor COXP4M12 · 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 5OMG · PDBe 5OMG · UniProt Q16539
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.