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Crystal structure of the N-terminal kinase domain of human rsk-1 bound to AMP-pcp

Analyse Crystal structure of the N-terminal kinase domain of human rsk-1 bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2Z7Q
Type
protein
Length
255 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribosomal protein S6 kinase alpha-1
EC
2.7.11.1
UniProt
Q15418
Ligands
ACP, MG
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibosomal protein S6 kinase alpha-1 (EC 2.7.11.1)protein25536% helix, 18% strandQ15418

Ligands and binding sites

  • ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
  • MG · Magnesium 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14050.660.7936MG, ACP
2670.490.8515empty

Compared structures

  • 2Z7Q · Crystal structure of the N-terminal kinase domain of human RSK-1 bound to AMP-PCP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15418 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-1 (Q15418) · a predicted model of the same protein · chain A against A, TM-score 0.97

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