MolNFT v1 · #82686 · protein
Crystal structure of a cysteine-deficient mutant M2 in MAP kinase JNK1
3VUI · Mitogen-activated protein kinase 8: “Crystal structure of a cysteine-deficient mutant M2 in MAP kinase JNK1”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.60). MolNFT v1 #82686 on GenesisL1: 3D structure…
- PDB
- 3VUI
- Type
- protein
- Length
- 365 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 8; Peptide from C-jun-amino-terminal kinase-interacting…
- EC
- 2.7.11.24
- UniProt
- A1L4K2, Q9UQF2
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 355 | 38% helix, 16% strand | A1L4K2 |
| F | Peptide from C-jun-amino-terminal kinase-interacting protein 1 | protein | 10 | 0% helix, 0% strand | Q9UQF2 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.60 | 0.83 | 21 | empty |
| 2 | 138 | 0.48 | 0.78 | 28 | SO4 |
| 3 | 54 | 0.33 | 0.78 | 12 | empty |
| 4 | 55 | 0.30 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–F · 601 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3VUI · Crystal structure of a cysteine-deficient mutant M2 in MAP kinase JNK1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UQF2 · AlphaFold monomer V2.0 prediction for C-jun-amino-terminal kinase- interacting protein 1… · a predicted model of the same protein · chain F against A, TM-score 0.43
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 A1L4K2
- Every structure of UniProt Q9UQF2
- Elsewhere: RCSB PDB 3VUI · PDBe 3VUI · UniProt A1L4K2 · UniProt Q9UQF2
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