Research workbench
Crystal structure of p38 alpha MAPK14 in complex with VPC00628
Analyse Crystal structure of p38 alpha MAPK14 in complex with VPC00628 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5LAR
- Type
- protein
- Length
- 350 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.5
- Source
- Mus musculus
- Molecule
- Mitogen-activated protein kinase 14
- EC
- 2.7.11.24
- UniProt
- P47811
- Ligands
- 6SH
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · resolution 1.5 · 1 distinct chain · 40% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 350 | 40% helix, 14% strand | P47811 |
Ligands and binding sites
- 6SH · 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 557 | 0.77 | 0.84 | 67 | 6SH |
| 2 | 123 | 0.43 | 0.76 | 17 | empty |
| 3 | 83 | 0.39 | 0.78 | 17 | empty |
| 4 | 75 | 0.36 | 0.76 | 19 | empty |
| 5 | 69 | 0.32 | 0.75 | 14 | empty |
Compared structures
- 5LAR · Crystal structure of P38 alpha MAPK14 in complex with VPC00628 · 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 0.95
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 5LAR · PDBe 5LAR · UniProt P47811
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