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MolNFT v1 · #139314 · protein

Crystal structure of the PKA-protein a fusion protein (end-to-end fusion)

5XBY · Camp-dependent protein kinase type II-alpha regulatory…: “Crystal structure of the PKA-protein a fusion protein (end-to-end fusion)”. X-ray diffraction, 3 pockets (best druggability 0.44). MolNFT v1 #139314 on GenesisL1: 3D…

PDB
5XBY
Type
protein
Length
313 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Camp-dependent protein kinase type II-alpha regulatory SUBUNIT,IMMUNOGLOBULIN G-binding…
UniProt
P13861, P38507
Pockets
3 · best druggability 0.44

Structure

x-ray diffraction · 4 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACamp-dependent protein kinase type II-alpha regulatory SUBUNIT,IMMUNOGLOBULIN G-binding protein aprotein3876% helix, 0% strandP13861, P38507
BCamp-dependent protein kinase type II-alpha regulatory SUBUNIT,IMMUNOGLOBULIN G-binding protein aprotein9378% helix, 0% strandP13861, P38507
CCamp-dependent protein kinase type II-alpha regulatory SUBUNIT,IMMUNOGLOBULIN G-binding protein aprotein9076% helix, 0% strandP13861, P38507
DCamp-dependent protein kinase type II-alpha regulatory SUBUNIT,IMMUNOGLOBULIN G-binding protein aprotein9280% helix, 0% strandP13861, P38507

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1870.440.7915empty
2880.430.7919empty
31040.350.7324empty

Interfaces

6 interfaces between chains.

  • A–B · 1019 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 1010 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 268 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 258 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 146 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5XBY · Crystal structure of the PKA-Protein A fusion protein (end-to-end fusion) · the same entry in another collection · chain D against D, TM-score 1.00
  • P13861 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type II-alpha… · a predicted model of the same protein · chain A against A, TM-score 0.96

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