9NFS: J-PKAc chimera

Structure of J-PKAc chimera in complex with Aplithianine j1. Determined by X-ray diffraction at 2.45 Å resolution. Released 4 Mar 2026.

Method
X-ray diffraction
Resolution
2.45 Å
Organism
Homo sapiens
Chains
4
Atoms
7,034
Mol. weight
99.91 kDa
Ligands
A1BX1
Released
4 Mar 2026

Explore 9NFS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9NFS contains 46 α-helices and 28 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 19 helices, 13 β-strands

ElementResiduesLengthSheet
α-helix17-2812
α-helix40-5516
α-helix57-8630
α-helix95-973
β-strand98-10692
β-strand110-11782
β-strand123-13082
α-helix131-1366
α-helix140-15213
β-strand15813
β-strand161-16662
β-strand170-17672
α-helix1771
β-strand18213
α-helix183-1908
α-helix195-21420
β-strand217-21824
α-helix224-2263
β-strand227-22933
β-strand235-23733
β-strand244-24524
β-strand25015
α-helix257-2593
α-helix262-2654
β-strand27015
α-helix273-28715
α-helix298-30710
α-helix318-32710
α-helix344-3474
α-helix350-3523
α-helix357-3615
α-helix391-3933
Chain B: 23 helices, 14 β-strands
ElementResiduesLengthSheet
α-helix4-74
α-helix17-2913
α-helix44-5512
α-helix57-637
α-helix65-8622
α-helix95-973
β-strand98-107106
β-strand110-11786
β-strand123-13086
α-helix131-1366
α-helix140-15011
β-strand15817
α-helix159-1602
β-strand161-16666
β-strand170-17676
α-helix1771
β-strand18217
α-helix183-1875
α-helix195-21420
β-strand217-21828
α-helix224-2263
β-strand227-22937
β-strand235-23737
β-strand244-24528
β-strand25019
β-strand25511
α-helix257-2593
α-helix262-2654
β-strand27019
α-helix273-28816
α-helix298-30710
α-helix318-32710
α-helix332-3343
α-helix344-3474
α-helix350-3523
α-helix357-3615
α-helix379-3813
Chain C: 2 helices, 0 β-strands
ElementResiduesLengthSheet
α-helix6-127
α-helix18-225
Chain D: 2 helices, 1 β-strand
ElementResiduesLengthSheet
α-helix6-127
α-helix14-163
β-strand2211

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
cAMP-dependent protein kinase inhibitor alphaC, Dprotein20Homo sapiensP61925 (AlphaFold model)
DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alphaA, Bprotein405Homo sapiensP17612 (AlphaFold model), P25685 (AlphaFold model)
Sequence of entity 1 (C, D), FASTA
>9NFS_1 cAMP-dependent protein kinase inhibitor alpha (chains C, D)
TTYADFIASGRTGRRNAIHD
Sequence of entity 2 (A, B), FASTA
>9NFS_2 DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha (chains A, B)
GKDYYQTLGLARGASDEEIKRAYRRQALRYHPDKNKEPGAEEKFKEIAEAYDVLSDPRKR
EIFDRYGEEVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTLGTGSFGRVMLVKHKET
GNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPG
GEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDF
GFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQ
IYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAI
YQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF

Ligands and cofactors

IDNameFormulaCopies
A1BX1(4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]py…C15 H13 N5 S2

Primary citation

Structure of J-PKAc chimera in complex with Aplithianine j1. Martinez Fiesco, J.A., Zhang, P. To be published.

Other PDB entries of the same protein (UniProt P61925 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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