MolNFT v1 · #24100 · protein
Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
1UKH · Mitogen-activated protein kinase 8 isoform 4: “Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125”. X-ray diffraction, 1 pocket (best druggability 0.58). MolNFT v1 #24100 on GenesisL1…
- PDB
- 1UKH
- Type
- protein
- Length
- 331 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
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 8 isoform 4 (EC 2.7.1.37) | protein | 321 | 40% helix, 17% strand | P45983 |
| B | 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1 | protein | 10 | 0% helix, 0% strand | Q9WVI9 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 247 | 0.58 | 0.78 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 579 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1UKH · Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and… · the same entry in another collection · chain B against B, 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 0.45
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 1UKH · PDBe 1UKH · UniProt P45983 · UniProt Q9WVI9
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