Research workbench
Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
Analyse Structural basis for the selective inhibition of JNK1 by the scaffolding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UKI
- Type
- protein
- Length
- 338 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 8 isoform 4; 11-mer peptide from C-jun-amino-terminal…
- EC
- 2.7.1.37
- UniProt
- P45983, Q9WVI9
- Ligands
- 537
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 8 isoform 4 (EC 2.7.1.37) | protein | 328 | 39% helix, 15% strand | P45983 |
| B | 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1 | protein | 10 | 0% helix, 0% strand | Q9WVI9 |
Ligands and binding sites
- 537 · 2,6-dihydroanthra/1,9-cd/pyrazol-6-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 267 | 0.60 | 0.79 | 34 | 537 |
| 2 | 54 | 0.29 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 571 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1UKI · Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and… · the same entry in another collection · chain A against A, TM-score 1.00
- P45983 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 8 (P45983) · a predicted model of the same protein · chain A against A, TM-score 0.95
- Q9WVI9 · AlphaFold monomer V2.0 prediction for C-jun-amino-terminal kinase- interacting protein 1… · a predicted model of the same protein · chain B against A, TM-score 0.46
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 P45983
- Every structure of UniProt Q9WVI9
- Elsewhere: RCSB PDB 1UKI · PDBe 1UKI · UniProt P45983 · UniProt Q9WVI9
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