7AKO: CHK1 kinase domain

Crystal structure of CHK1 kinase domain in complex with a CLASPIN phosphopeptide. Determined by X-ray diffraction at 1.8 Å resolution. Released 14 Apr 2021.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,982
Mol. weight: 73.94 kDa
Ligands: ZN, STU
Released: 14 Apr 2021

Explore 7AKO in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7AKO contains 29 α-helices and 34 β-strands across 3 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: 13 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	5-8	4
β-strand	9-17	9	1
β-strand	21-28	8	1
β-strand	34-41	8	1
α-helix	48-61	14
β-strand	67	1	2
β-strand	70-76	7	1
β-strand	79-84	6	1
β-strand	90-91	2	2
α-helix	92-95	4
β-strand	97	1	3
β-strand	101	1	3
α-helix	104-123	20
β-strand	126-127	2	4
α-helix	133-135	3
β-strand	136-138	3	2
β-strand	144-146	3	2
β-strand	153-154	2	4
β-strand	156-157	2	5
β-strand	160-161	2	5
β-strand	164	1	6
α-helix	171-173	3
α-helix	176-180	5
β-strand	184	1	6
α-helix	186-203	18
α-helix	216-222	7
α-helix	231-233	3
α-helix	236-245	10
α-helix	254-255	2
α-helix	256-259	4

Chain B: 14 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	5-8	4
β-strand	9-16	8	7
β-strand	21-28	8	7
β-strand	34-41	8	7
α-helix	48-61	14
β-strand	67	1	8
α-helix	68-69	2
β-strand	70-76	7	7
β-strand	79-84	6	7
β-strand	90-91	2	8
α-helix	92-95	4
β-strand	97	1	9
β-strand	101	1	9
α-helix	104-123	20
β-strand	126-127	2	10
α-helix	133-135	3
β-strand	136-138	3	8
β-strand	144-146	3	8
β-strand	153-154	2	10
β-strand	156-157	2	11
β-strand	160-161	2	11
β-strand	164	1	12
α-helix	171-173	3
α-helix	176-180	5
β-strand	184	1	12
α-helix	186-203	18
α-helix	216-222	7
α-helix	231-233	3
α-helix	236-245	10
α-helix	254-255	2
α-helix	256-259	4

Chain C: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	940-942	3
α-helix	944-946	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase Chk1	A, B	protein	300	Homo sapiens	O14757 (AlphaFold model)
Claspin	C, D	protein	16	Homo sapiens	Q9HAW4 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7AKO_1 Serine/threonine-protein kinase Chk1 (chains A, B)
GPGSAVPFVEDWRLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEIC
INKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAG
VVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPE
LLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSA
PLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH

Sequence of entity 2 (C, D), FASTA

>7AKO_2 Claspin (chains C, D)
MEELLNLCSGKFTSQD

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1
STU	Staurosporine	C28 H26 N4 O3	2

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

Primary citation

Structural basis for recruitment of the CHK1 DNA damage kinase by the CLASPIN scaffold protein. Day, M., Parry-Morris, S., Houghton-Gisby, J. et al. Structure (2021) 29:531. DOI 10.1016/j.str.2021.03.007 · PubMed

Other PDB entries of the same protein (UniProt O14757 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2YEX 1.3 Å, Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
9CE4 1.31 Å, Structure of CHK1 10-pt. mutant complex with LRRK2 indazole inhibitor compound 6
4HYI 1.4 Å, X-RAY Crystal structure of compound 40 bound to human chk1 kinase domain
3PA3 1.4 Å, X-ray crystal structure of compound 70 bound to human CHK1 kinase domain
5OQ5 1.4 Å, Structure of CHK1 8-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor
3OT3 1.44 Å, X-ray crystal structure of compound 22k bound to human Chk1 kinase domain
7SUF 1.48 Å, Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 06
7SUG 1.48 Å, Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09
8E80 1.49 Å, Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2…
5OPB 1.55 Å, Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor
5OPU 1.55 Å, Structure of CHK1 10-pt. mutant complex with pyrrolopyridine LRRK2 inhibitor
8SIX 1.55 Å, Structure of Compound 13 bound to the CHK1 10-point mutant

Browse structure collections

About this viewer

MolViewer shows 7AKO 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.