3KKV: PKA with a protein Kinase B-selective inhibitor

Structure of PKA with a protein Kinase B-selective inhibitor. Determined by X-ray diffraction at 1.8 Å resolution. Released 22 Dec 2010.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Bos taurus
Chains: 2
Atoms: 3,242
Mol. weight: 43.48 kDa
Ligands: B99
Released: 22 Dec 2010

Explore 3KKV in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3KKV 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	14-31	18
α-helix	40-42	3
β-strand	43-51	9	1
β-strand	56-62	7	1
β-strand	67-75	9	1
α-helix	76-81	6
α-helix	85-95	11
β-strand	103	1	2
β-strand	106-111	6	1
β-strand	115-121	7	1
β-strand	127	1	2
α-helix	128-135	8
α-helix	140-159	20
β-strand	162-163	2	3
α-helix	169-171	3
β-strand	172-174	3	2
β-strand	180-182	3	2
β-strand	189-190	2	3
β-strand	195	1	4
β-strand	199-200	2	5
α-helix	202-204	3
α-helix	207-210	4
β-strand	215	1	4
α-helix	218-233	16
α-helix	243-252	10
α-helix	263-272	10
α-helix	289-292	4
α-helix	295-297	3
α-helix	302-306	5
α-helix	311-312	2
α-helix	316-318	3

Chain I: 2 helices, 1 β-strand

Element	Residues	Length	Sheet
α-helix	6-11	6
α-helix	18-21	4
β-strand	22-23	2	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
cAMP-dependent protein kinase catalytic subunit alpha	A	protein	350	Bos taurus	P00517 (AlphaFold model)
PKI kinase inhibitor	I	protein	20

Sequence of entity 1 (A), FASTA

>3KKV_1 cAMP-dependent protein kinase catalytic subunit alpha (chains A)
GNAAAAKKGSEQESVKEFLAKAKEDFLKKWENPAQNTAHLDQFERIKTLGTGSFGRVMLV
KHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVM
EYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYI
QVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFA
DQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATT
DWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF

Sequence of entity 2 (I), FASTA

>3KKV_2 PKI kinase inhibitor (chains I)
TTYADFIASGRTGRRNAIHD

Ligands and cofactors

ID	Name	Formula	Copies
B99	(2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol…	C28 H25 N5 O2	1

Primary citation

Structure of PKA with a protein Kinase B-selective inhibitor. Lin, H., Elkins, P.A., Concha, N.O. et al. To be published.

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
8SF8 1.7 Å, Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-…
4C34 1.78 Å, PKA-S6K1 Chimera with Staurosporine bound
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

Browse structure collections

About this viewer

MolViewer shows 3KKV directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.