8FE9: Ack1 kinase K161Q mutant

Crystal structure of Ack1 kinase K161Q mutant in complex with the selective inhibitor (R)-9b. Determined by X-ray diffraction at 3.2 Å resolution. Released 29 Mar 2023.

Method: X-ray diffraction
Resolution: 3.2 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,226
Mol. weight: 32.9 kDa
Ligands: WTP
Released: 29 Mar 2023

Explore 8FE9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8FE9 contains 14 α-helices and 14 β-strands across 1 chain. 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: 14 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	120	1	1
α-helix	123-125	3
β-strand	126-135	10	1
β-strand	138-146	9	1
β-strand	152-159	8	1
α-helix	167-182	16
β-strand	189	1	2
β-strand	192-196	5	1
α-helix	201	1
β-strand	202-205	4	1
β-strand	211-212	2	2
α-helix	213-217	5
α-helix	226-245	20
β-strand	248-249	2	3
α-helix	255-257	3
β-strand	258-262	5	2
β-strand	265-268	4	2
β-strand	275-276	2	3
β-strand	284-285	2	4
α-helix	299-303	5
β-strand	306-307	2	4
α-helix	309-324	16
α-helix	336-340	5
α-helix	341-346	6
α-helix	350-353	4
α-helix	358-367	10
α-helix	372-374	3
α-helix	378-388	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Activated CDC42 kinase 1	A	protein	287	Homo sapiens	Q07912 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8FE9_1 Activated CDC42 kinase 1 (chains A)
GAMGSGEGPLQSLTCLIGEKDLRLLEKLGDGSFGVVRRGEWDAPSGKTVSVAVKCLQPDV
LSQPEAMDDFIREVNAMHSLDHRNLIRLYGVVLTPPMKMVTELAPLGSLLDRLRKHQGHF
LLGTLSRYAVQVAEGMGYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHY
VMQEHRKVPFAWCAPESLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKID
KEGERLPRPEDCPQDIYNVMVQCWAHKPEDRPTFVALRDFLLEAQPT

Ligands and cofactors

ID	Name	Formula	Copies
WTP	5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl…	C20 H27 Cl N6 O	1

Primary citation

Biochemical Studies of Systemic Lupus Erythematosus-Associated Mutations in Nonreceptor Tyrosine Kinases Ack1 and Brk. Kan, Y., Paung, Y., Kim, Y. et al. Biochemistry (2023) 62:1124-1137. DOI 10.1021/acs.biochem.2c00685 · PubMed

Other PDB entries of the same protein (UniProt Q07912 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4HZR 1.31 Å, Crystal structure of Ack1 kinase domain
8THA 1.68 Å, 1TEL, non-compressed, double-helical crystal form
7KP6 1.79 Å, Structure of Ack1 kinase in complex with a selective inhibitor
8Q5P 1.81 Å, Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from…
1U46 2.0 Å, Crystal Structure of the Unphosphorylated Kinase Domain of the Tyrosine Kinase ACK1
3EQR 2.0 Å, Crystal Structure of Ack1 with compound T74
1U4D 2.1 Å, Structure of the ACK1 Kinase Domain bound to Debromohymenialdisine
5ZXB 2.2 Å, Crystal structure of ACK1 with compound 10d
3EQP 2.3 Å, Crystal Structure of Ack1 with compound T95
4EWH 2.5 Å, Co-crystal structure of ACK1 with inhibitor
8FZ3 2.78 Å, Sterile Alpha Motif of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
1U54 2.8 Å, Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the…

Browse structure collections

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