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The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory conformation for a dual kinase protein

Analyse The structure of the N-terminal kinase domain of MSK1 reveals a novel… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1VZO
Type
protein
Length
319 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribosomal protein S6 kinase alpha 5
EC
2.7.1.37
UniProt
O75582
Ligands
SO4
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibosomal protein S6 kinase alpha 5 (EC 2.7.1.37)protein31935% helix, 20% strandO75582

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • BME · Beta-mercaptoethanol · additive · 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
13340.680.8240empty
21410.500.7923empty
3650.270.7321empty

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 1VZO · The structure of the N-terminal kinase domain of MSK1 reveals a novel autoinhibitory… · the same entry in another collection · chain A against A, TM-score 1.00
  • O75582 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-5 (O75582) · a predicted model of the same protein · chain A against A, TM-score 0.87

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