MolNFT v1 · #82685 · protein
Crystal structure of a cysteine-deficient mutant M3 in MAP kinase JNK1
3VUH · Mitogen-activated protein kinase 8: “Crystal structure of a cysteine-deficient mutant M3 in MAP kinase JNK1”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.56). MolNFT v1 #82685 on GenesisL1: 3D structure…
- PDB
- 3VUH
- 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
- 5 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 355 | 40% helix, 15% strand | A1L4K2 |
| F | Peptide from C-jun-amino-terminal kinase-interacting protein 1 | protein | 10 | 0% helix, 0% strand | Q9UQF2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.56 | 0.82 | 22 | GOL |
| 2 | 105 | 0.46 | 0.80 | 20 | SO4 |
| 3 | 78 | 0.33 | 0.75 | 13 | empty |
| 4 | 52 | 0.33 | 0.77 | 13 | empty |
| 5 | 61 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–F · 616 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3VUH · Crystal structure of a cysteine-deficient mutant M3 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 0.41
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 3VUH · PDBe 3VUH · UniProt A1L4K2 · UniProt Q9UQF2
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