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MolNFT v1 · #145286 · protein

Co-crystal structure of MNK2 in complex with an inhibitor

6CJH · MAP kinase-interacting SERINE/THREONINE-protein kinase 2: “Co-crystal structure of MNK2 in complex with an inhibitor”. X-ray diffraction, 2 ligands (ET8, ZN), 3 pockets (best druggability 0.65). MolNFT v1 #145286 on GenesisL1: 3D…

PDB
6CJH
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
ET8, ZN
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMAP kinase-interacting SERINE/THREONINE-protein kinase 2 (EC 2.7.11.1)protein27139% helix, 15% strandQ9HBH9

Ligands and binding sites

  • ET8 · 3-phenyl-5-(pyridin-4-yl)-1H-indazole · 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

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13120.650.8136ET8
21090.410.7619empty
3850.320.7314empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6CJH · Co-crystal structure of MNK2 in complex with an 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

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