3A8W: PKCiota kinase domain

Crystal Structure of PKCiota kinase domain. Determined by X-ray diffraction at 2.1 Å resolution. Released 5 May 2010.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,598
Mol. weight: 80.82 kDa
Ligands: ATP
Released: 5 May 2010

Explore 3A8W in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3A8W contains 49 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: 25 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	258-264	7	1
α-helix	265-267	3
β-strand	269-277	9	1
α-helix	278-280	3
α-helix	289-300	12
β-strand	306	1	2
α-helix	307-308	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	365-366	2	3
α-helix	372-374	3
β-strand	375-377	3	2
β-strand	383-385	3	2
β-strand	392-393	2	3
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	469-470	2
α-helix	478-487	10
α-helix	492-494	3
α-helix	503-509	7
α-helix	511-513	3
α-helix	518-522	5
α-helix	527-528	2
α-helix	537-542	6
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	1

Chain B: 24 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	238-240	3
α-helix	242-244	3
β-strand	245-253	9	5
β-strand	257-264	8	5
β-strand	269-277	9	5
α-helix	278-281	4
α-helix	284-286	3
α-helix	287-299	13
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	343-362	20
β-strand	366	1	7
α-helix	372-374	3
β-strand	375-377	3	6
β-strand	383-385	3	6
β-strand	392	1	7
β-strand	401	1	8
α-helix	408-410	3
α-helix	413-416	4
β-strand	421	1	8
α-helix	424-439	16
α-helix	458-467	10
α-helix	469-470	2
α-helix	478-487	10
α-helix	492-494	3
α-helix	503-508	6
α-helix	511-513	3
α-helix	518-522	5
α-helix	527-528	2
α-helix	537-542	6
α-helix	545-548	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

>3A8W_1 Protein kinase C iota type (chains A, B)
GAMDPLGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKELVNDDEDIDWVQTEK
HVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEIS
LALNYLHERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPGDTTSTFCGTPNYIAPE
ILRGEDYGFSVDWWALGVLMFEMMAGRSPFDIVGSSDNPDQNTEDYLFQVILEKQIRIPR
SLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNI
SGEFGLDNFDSQFTNEPVQLTPDDDDIVRKIDQSEFEGFEYINPL

Ligands and cofactors

ID	Name	Formula	Copies
ATP	Adenosine-5'-triphosphate	C10 H16 N5 O13 P3	2

Water and common crystallization additives (SO4) are not listed.

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
3A8X 2.0 Å, Crystal Structure of PKCiota kinase domain
5LI1 2.0 Å, Structure of a Par3-inhibitory peptide bound to PKCiota core 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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