Research workbench
Structure of the MAPK P38ALPHA in complex with its activating MAP2K MKK6
Analyse Structure of the MAPK P38ALPHA in complex with its activating MAP2K MKK6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8A8M
- Type
- protein
- Length
- 647 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 14; Dual specificity mitogen-activated protein kinase…
- EC
- 2.7.11.24, 2.7.12.2
- UniProt
- Q16539, P52564
- Ligands
- AP2, MG
- Pockets
- 14 · best druggability 0.83
Structure
electron microscopy · 2 distinct chains · 36% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 349 | 34% helix, 9% strand | Q16539 |
| B | Dual specificity mitogen-activated protein kinase kinase 6 (EC 2.7.12.2) | protein | 298 | 40% helix, 12% strand | P52564 |
Ligands and binding sites
- AP2 · Phosphomethylphosphonic acid adenosyl ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 300 | 0.83 | 0.93 | 60 | empty |
| 2 | 984 | 0.77 | 0.79 | 87 | AP2, MG |
| 3 | 666 | 0.77 | 0.82 | 78 | AP2, MG |
| 4 | 51 | 0.69 | 0.96 | 19 | empty |
| 5 | 83 | 0.66 | 0.91 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1462 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 8A8M · Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 · the same entry in another collection · chain A against A, TM-score 1.00
- P52564 · AlphaFold monomer V2.0 prediction for dual specificity mitogen- activated protein kinase… · a predicted model of the same protein · chain B against A, TM-score 0.80
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
- Every structure of UniProt P52564
- Elsewhere: RCSB PDB 8A8M · PDBe 8A8M · UniProt Q16539 · UniProt P52564
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.