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MolNFT v1 · #87496 · protein

PKA-S6K1 chimera apo

4C33 · Camp-dependent protein kinase catalytic subunit alpha: “PKA-S6K1 chimera apo”. X-ray diffraction, 3 pockets (best druggability 0.80). MolNFT v1 #87496 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4C33
Type
protein
Length
356 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Camp-dependent protein kinase catalytic subunit alpha; Camp-dependent protein kinase…
EC
2.7.11.11
UniProt
P00517, Q3SX13
Pockets
3 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACamp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11)protein33837% helix, 16% strandP00517
ICamp-dependent protein kinase inhibitor alphaprotein1839% helix, 0% strandQ3SX13

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14320.800.8859empty
2700.530.8514empty
3560.290.7515empty

Interfaces

1 interface between chains.

  • A–I · 894 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (phosphorylation).

Compared structures

  • 4C33 · PKA-S6K1 Chimera Apo · the same entry in another collection · chain A against A, TM-score 1.00
  • Q3SX13 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase inhibitor alpha… · a predicted model of the same protein · chain I against A, TM-score 0.47

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