MolNFT v1 · #145310 · protein
Crystal structure of MNK2-D228G in complex with inhibitor
6CK6 · MAP kinase-interacting SERINE/THREONINE-protein kinase 2: “Crystal structure of MNK2-D228G in complex with inhibitor”. X-ray diffraction, 2 ligands (N45, ZN), 2 pockets (best druggability 0.65). MolNFT v1 #145310 on GenesisL1: 3D…
- PDB
- 6CK6
- 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
- N45, ZN
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% 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 | 39% helix, 15% strand | Q9HBH9 |
Ligands and binding sites
- N45 · 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[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 | 243 | 0.65 | 0.82 | 40 | N45 |
| 2 | 83 | 0.31 | 0.72 | 16 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6CK6 · Crystal Structure of Mnk2-D228G 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 6CK6 · PDBe 6CK6 · UniProt Q9HBH9
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