MolNFT v1 · #36134 · protein
Dual binding mode of pyridinylimidazole to MAP kinase P38
2EWA · Mitogen-activated protein kinase 14: “Dual binding mode of pyridinylimidazole to MAP kinase P38”. X-ray diffraction, 1 ligand (SB2), 5 pockets (best druggability 0.73). MolNFT v1 #36134 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2EWA
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 14
- EC
- 2.7.1.37
- UniProt
- P47811
- Ligands
- SB2
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.1.37) | protein | 330 | 39% helix, 16% strand | P47811 |
Ligands and binding sites
- SB2 · 4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3H-imidazol-4-yl]-pyridine · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 584 | 0.73 | 0.80 | 55 | SB2 |
| 2 | 93 | 0.67 | 0.91 | 20 | empty |
| 3 | 159 | 0.45 | 0.75 | 29 | empty |
| 4 | 137 | 0.41 | 0.75 | 27 | empty |
| 5 | 64 | 0.29 | 0.73 | 16 | empty |
Compared structures
- 2EWA · Dual binding mode of pyridinylimidazole to MAP kinase p38 · the same entry in another collection · chain A against A, TM-score 1.00
- P47811 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 14 (P47811) · 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 P47811
- Elsewhere: RCSB PDB 2EWA · PDBe 2EWA · UniProt P47811
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