Research workbench
Crystal structure of wild type MNK2 in complex with inhibitor
Analyse Crystal structure of wild type MNK2 in complex with inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JLR
- Type
- protein
- Length
- 268 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MAP kinase-interacting SERINE/THREONINE-protein kinase 2
- EC
- 2.7.11.1
- UniProt
- Q9HBH9
- Ligands
- BV9
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MAP kinase-interacting SERINE/THREONINE-protein kinase 2 (EC 2.7.11.1) | protein | 268 | 39% helix, 18% strand | Q9HBH9 |
Ligands and binding sites
- BV9 · 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.77 | 0.87 | 40 | BV9 |
| 2 | 88 | 0.44 | 0.80 | 22 | empty |
| 3 | 115 | 0.36 | 0.73 | 18 | empty |
Compared structures
- 6JLR · Crystal structure of wild type MNK2 in complex with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HBH9 · AlphaFold monomer V2.0 prediction for MAP kinase-interacting SERINE/THREONINE-protein… · a predicted model of the same protein · chain A against A, TM-score 0.88
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 Q9HBH9
- Elsewhere: RCSB PDB 6JLR · PDBe 6JLR · UniProt Q9HBH9
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