MolNFT v1 · #145322 · protein
Co-crystal structure of MNK2 in complex with inhibitor
6CKI · MAP kinase-interacting SERINE/THREONINE-protein kinase 2: “Co-crystal structure of MNK2 in complex with inhibitor”. X-ray diffraction, 2 ligands (FZJ, ZN), 2 pockets (best druggability 0.66). MolNFT v1 #145322 on GenesisL1: 3D…
- PDB
- 6CKI
- Type
- protein
- Length
- 271 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
- FZJ, ZN
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MAP kinase-interacting SERINE/THREONINE-protein kinase 2 (EC 2.7.11.1) | protein | 271 | 42% helix, 15% strand | Q9HBH9 |
Ligands and binding sites
- FZJ · 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione · ligand · chains A
- ZN · Zinc ion · metal · 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 | 337 | 0.66 | 0.81 | 43 | FZJ |
| 2 | 76 | 0.31 | 0.73 | 13 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6CKI · Co-crystal structure of 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 6CKI · PDBe 6CKI · UniProt Q9HBH9
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