MolNFT v1 · #191180 · protein
Structure of the MAPK P38ALPHA in complex with its activating MAP2K MKK6
8A8M · Mitogen-activated protein kinase 14: “Structure of the MAPK P38ALPHA in complex with its activating MAP2K MKK6”. Electron microscopy, 2 ligands (AP2, MG), 14 pockets (best druggability 0.83). MolNFT v1 #191180 on GenesisL1: 3D…
- 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
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