7OAK: Pseudokinase CASK

Crystal structure of pseudokinase CASK in complex with compound 26. Determined by X-ray diffraction at 2.23 Å resolution. Released 19 May 2021.

Method: X-ray diffraction
Resolution: 2.23 Å
Organism: Homo sapiens
Chains: 4
Atoms: 10,126
Mol. weight: 161.7 kDa
Ligands: V6B
Released: 19 May 2021

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

Secondary structure: helices and β-sheets

7OAK contains 80 α-helices and 54 β-strands across 4 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.

Chains A and B: 20 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	8-11	4
β-strand	12-20	9	1
β-strand	24-31	8	1
β-strand	37-44	8	1
α-helix	45-49	5
α-helix	56-66	11
β-strand	74	1	2
α-helix	75-76	2
β-strand	77-83	7	1
β-strand	86-92	7	1
β-strand	98	1	2
α-helix	99-108	10
α-helix	115-134	20
β-strand	137-138	2	3
α-helix	144-146	3
β-strand	147-149	3	2
β-strand	158-160	3	2
β-strand	167-168	2	3
β-strand	175	1	4
α-helix	176-177	2
α-helix	183-185	3
α-helix	188-191	4
β-strand	196	1	4
α-helix	199-214	16
α-helix	223-232	10
α-helix	239-242	4
α-helix	247-256	10
α-helix	261-263	3
α-helix	265-266	2
α-helix	267-271	5
α-helix	274-277	4
α-helix	279-282	4
α-helix	289-302	14

Chain C: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	8-11	4
β-strand	12-20	9	9
β-strand	24-31	8	9
β-strand	37-44	8	9
α-helix	45-49	5
α-helix	56-66	11
β-strand	71	1	10
β-strand	74	1	10
α-helix	75-76	2
β-strand	77-83	7	9
β-strand	86-92	7	9
β-strand	98	1	10
α-helix	99-108	10
α-helix	115-134	20
β-strand	137-138	2	11
α-helix	144-146	3
β-strand	147-149	3	10
α-helix	156-157	2
β-strand	158-160	3	10
β-strand	167-168	2	11
β-strand	175	1	12
α-helix	176-177	2
α-helix	183-185	3
α-helix	188-191	4
β-strand	196	1	12
α-helix	199-214	16
α-helix	223-232	10
α-helix	239-242	4
α-helix	247-256	10
α-helix	265-266	2
α-helix	267-272	6
α-helix	274-277	4
α-helix	279-282	4
α-helix	289-302	14

Chain D: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	8-11	4
β-strand	12-20	9	13
β-strand	24-31	8	13
β-strand	37-44	8	13
α-helix	45-49	5
α-helix	56-66	11
β-strand	71	1	14
β-strand	74	1	14
α-helix	75-76	2
β-strand	77-83	7	13
β-strand	86-92	7	13
β-strand	98	1	14
α-helix	99-108	10
α-helix	115-134	20
β-strand	137-138	2	15
α-helix	144-146	3
β-strand	147-149	3	14
α-helix	156-157	2
β-strand	158-160	3	14
β-strand	167-168	2	15
β-strand	175	1	16
α-helix	176-177	2
α-helix	183-185	3
α-helix	188-191	4
β-strand	196	1	16
α-helix	199-214	16
α-helix	223-232	10
α-helix	239-242	4
α-helix	247-256	10
α-helix	265-266	2
α-helix	267-271	5
α-helix	274-277	4
α-helix	279-282	4
α-helix	289-302	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Peripheral plasma membrane protein CASK	A, B, C, D	protein	353	Homo sapiens	O14936 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>7OAK_1 Peripheral plasma membrane protein CASK (chains A, B, C, D)
SMGSPGISGGGGGIRTMADDDVLFEDVYELCEVIGKGPFSVVRRCINRETGQQFAVKIVD
VAKFTSSPGLSTEDLKREASICHMLKHPHIVELLETYSSDGMLYMVFEFMDGADLCFEIV
KRADAGFVYSEAVASHYMRQILEALRYCHDNNIIHRDVKPHCVLLASKENSAPVKLGGFG
VAIQLGESGLVAGGRVGTPHFMAPEVVKREPYGKPVDVWGCGVILFILLSGCLPFYGTKE
RLFEGIIKGKYKMNPRQWSHISESAKDLVRRMLMLDPAERITVYEALNHPWLKERDRYAY
KIHLPETVEQLRKFNARRKLKGAVLAAVSSHKFNSFYGDPPEELPDFSEDPTS

Ligands and cofactors

ID	Name	Formula	Copies
V6B	2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2…	C24 H30 Br2 N6 O3	4

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

Primary citation

Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. Russ, N., Schroder, M., Berger, B.T. et al. J Med Chem (2021) 64:14358-14376. DOI 10.1021/acs.jmedchem.1c00845 · PubMed

Other PDB entries of the same protein (UniProt O14936 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1KGD 1.31 Å, Crystal Structure of the Guanylate Kinase-like Domain of Human CASK
9M6G 1.7 Å, the crystal structure of the Ca2+/CaM-CASK-CaMK-Mint1-CID complex
9KYS 1.76 Å, the Ca2+/CaM-CASK-ARD complex
9M5Y 1.8 Å, the crystal structure of the Ca2+/CaM-CASK-CaMK complex
3C0I 1.85 Å, CASK CaM-Kinase Domain- 3'-AMP complex, P212121 form
6NH9 1.85 Å, Crystal structure of a human calcium/calmodulin dependent serine protein kinase (CASK)…
6NID 1.86 Å, Crystal structure of a human calcium/calmodulin dependent serine protein kinase (CASK)…
1KWA 1.93 Å, Human cask/lin-2 PDZ domain
7OAJ 1.93 Å, Crystal structure of pseudokinase CASK in complex with compound 7
3MFR 2.0 Å, CASK-4M CaM Kinase Domain, native
3MFS 2.1 Å, CASK-4M CaM Kinase Domain, AMPPNP
7OAL 2.17 Å, Crystal structure of pseudokinase CASK in complex with compound 25

Browse structure collections

About this viewer

MolViewer shows 7OAK 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.