3A8X: PKCiota kinase domain

Crystal Structure of PKCiota kinase domain. Determined by X-ray diffraction at 2.0 Å resolution. Released 5 May 2010.

Method: X-ray diffraction
Resolution: 2.0 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,651
Mol. weight: 80.09 kDa
Released: 5 May 2010

Explore 3A8X in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3A8X contains 46 α-helices and 28 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: 24 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	238-240	3
α-helix	242-244	3
β-strand	245-253	9	1
β-strand	257-264	8	1
β-strand	269-277	9	1
α-helix	278-280	3
α-helix	284-299	16
β-strand	306	1	2
β-strand	309-314	6	1
β-strand	318-323	6	1
β-strand	330	1	2
α-helix	331-338	8
α-helix	343-362	20
β-strand	366	1	3
α-helix	372-374	3
β-strand	375-377	3	2
β-strand	383-385	3	2
α-helix	388-390	3
β-strand	392	1	3
α-helix	395-396	2
β-strand	401	1	4
α-helix	408-410	3
α-helix	413-416	4
β-strand	421	1	4
α-helix	424-439	16
α-helix	458-467	10
α-helix	468-473	6
α-helix	478-487	10
α-helix	503-508	6
α-helix	511-513	3
α-helix	518-522	5
α-helix	527-528	2
α-helix	540-542	3
α-helix	545-548	4
α-helix	555-558	4
α-helix	559-562	4
α-helix	567-570	4
β-strand	575-576	2	1

Chain B: 22 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	239-240	2
α-helix	242-244	3
β-strand	245-253	9	5
β-strand	258-264	7	5
β-strand	269-277	9	5
α-helix	278-280	3
α-helix	287-300	14
β-strand	306	1	6
α-helix	307-308	2
β-strand	309-314	6	5
β-strand	318-323	6	5
β-strand	330	1	6
α-helix	331-338	8
α-helix	343-361	19
β-strand	366	1	7
α-helix	372-374	3
β-strand	375-377	3	6
β-strand	383-385	3	6
α-helix	388-390	3
β-strand	392	1	7
β-strand	401	1	8
α-helix	408-410	3
α-helix	413-417	5
β-strand	421	1	8
α-helix	424-439	16
α-helix	458-467	10
α-helix	478-487	10
α-helix	503-508	6
α-helix	511-513	3
α-helix	518-522	5
α-helix	540-542	3
α-helix	545-548	4
α-helix	554-557	4
α-helix	559-562	4
α-helix	567-570	4
β-strand	575-576	2	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein kinase C iota type	A, B	protein	345	Homo sapiens	P41743 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3A8X_1 Protein kinase C iota type (chains A, B)
GAMDPLGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKELVNDDEDIDWVQTEK
HVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEIS
LALNYLHERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPGDTTSTFCGTPNYIAPE
ILRGEDYGFSVDWWALGVLMFEMMAGRSPFDIVGSSDNPDQNTEDYLFQVILEKQIRIPR
SLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNI
SGEFGLDNFDSQFTNEPVQLTPDDDDIVRKIDQSEFEGFEYINPL

Primary citation

Structures of the PKC-iota kinase domain in its ATP-bound and apo forms reveal defined structures of residues 533-551 in the C-terminal tail and their roles in ATP binding. Takimura, T., Kamata, K., Fukasawa, K. et al. Acta Crystallogr D Biol Crystallogr (2010) 66:577-583. DOI 10.1107/S0907444910005639 · PubMed

Other PDB entries of the same protein (UniProt P41743 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1WMH 1.5 Å, Crystal structure of a PB1 domain complex of Protein kinase c iota and Par6 alpha
5LI9 1.79 Å, Structure of a nucleotide-bound form of PKCiota core kinase domain
5LI1 2.0 Å, Structure of a Par3-inhibitory peptide bound to PKCiota core kinase domain
3A8W 2.1 Å, Crystal Structure of PKCiota kinase domain
8R3X 2.59 Å, Crystal structure of aPKC Iota kinase domain with LLGL2 peptide
3ZH8 2.74 Å, A novel small molecule aPKC inhibitor
1ZRZ 3.0 Å, Crystal Structure of the Catalytic Domain of Atypical Protein Kinase C-iota
9EJK 3.08 Å, Lgl2 bound to the aPKCiota-Par6b complex in nucleotide-free form. Head sub-complex…
5LIH 3.25 Å, Structure of a peptide-substrate bound to PKCiota core kinase domain
6ILZ 3.26 Å, Crystal structure of PKCiota in complex with inhibitor
9EJM 3.33 Å, Lgl2 bound to the aPKCiota-Par6B complex in its ADP-bound form
9EJL 3.48 Å, Lgl2 bound to the aPKCiota-Par6B complex in nucleotide-free form. Conformation with…

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