8SF8: Bovine PKA

Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide. Determined by X-ray diffraction at 1.7 Å resolution. Released 21 Feb 2024.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Bos taurus
Chains: 2
Atoms: 3,383
Mol. weight: 43.66 kDa
Ligands: ZWG
Released: 21 Feb 2024

Explore 8SF8 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8SF8 contains 19 α-helices and 15 β-strands across 2 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: 17 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	16-32	17
α-helix	41-43	3
β-strand	44-51	8	1
β-strand	57-63	7	1
β-strand	69-76	8	1
α-helix	77-82	6
α-helix	86-98	13
β-strand	104	1	2
α-helix	105-106	2
β-strand	107-112	6	1
β-strand	116-122	7	1
β-strand	128	1	2
α-helix	129-136	8
α-helix	141-160	20
β-strand	163-164	2	3
α-helix	170-172	3
β-strand	173-175	3	2
β-strand	181-183	3	2
β-strand	190-191	2	3
β-strand	196	1	4
β-strand	200-201	2	5
α-helix	203-205	3
α-helix	208-211	4
β-strand	216	1	4
α-helix	219-234	16
α-helix	244-253	10
α-helix	264-273	10
α-helix	290-293	4
α-helix	296-298	3
α-helix	303-308	6
α-helix	312-313	2

Chain B: 2 helices, 1 β-strand

Element	Residues	Length	Sheet
α-helix	6-11	6
α-helix	20-21	2
β-strand	22-23	2	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
cAMP-dependent protein kinase catalytic subunit alpha	A	protein	353	Bos taurus	P00517 (AlphaFold model)
cAMP-dependent protein kinase inhibitor alpha	B	protein	20	Bos taurus	Q3SX13 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8SF8_1 cAMP-dependent protein kinase catalytic subunit alpha (chains A)
GHMGNAAAAKKGSEQESVKEFLAKAKEDFLKKWENPAQNTAHLDQFERIKTLGTGSFGRV
MLVKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLY
MVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQ
GYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPP
FFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWF
ATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF

Sequence of entity 2 (B), FASTA

>8SF8_2 cAMP-dependent protein kinase inhibitor alpha (chains B)
TTYADFIASGRTGRRNAIHD

Ligands and cofactors

ID	Name	Formula	Copies
ZWG	N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide	C19 H22 N4 O	1

Primary citation

Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. Maw, J.J., Coker, J.A., Arya, T. et al. J Med Chem (2024) 67:2631-2666. DOI 10.1021/acs.jmedchem.3c01807 · PubMed

Other PDB entries of the same protein (UniProt P00517 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4Z84 1.55 Å, PKAB3 in complex with pyrrolidine inhibitor 34a
4C38 1.58 Å, PKA-S6K1 Chimera with compound 21e (CCT239066) bound
1XH8 1.6 Å, Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein…
5VHB 1.61 Å, Crystal structure of Protein Kinase A in complex with the PKI peptide and…
1XH9 1.64 Å, Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein…
3ZO4 1.65 Å, The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
4C33 1.7 Å, PKA-S6K1 Chimera Apo
4C37 1.7 Å, PKA-S6K1 Chimera with compound 21a (CCT196539) bound
4C34 1.78 Å, PKA-S6K1 Chimera with Staurosporine bound
3KKV 1.8 Å, Structure of PKA with a protein Kinase B-selective inhibitor.
4Z83 1.8 Å, PKAB3 in complex with pyrrolidine inhibitor 47a
2GFC 1.87 Å, cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24

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