6EQ9: JNK3

Crystal structure of JNK3 in complex with AMP-PCP. Determined by X-ray diffraction at 1.83 Å resolution. Released 8 Aug 2018.

Method: X-ray diffraction
Resolution: 1.83 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,922
Mol. weight: 86.37 kDa
Ligands: MG, ACP, C15
Released: 8 Aug 2018

Explore 6EQ9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6EQ9 contains 45 α-helices and 22 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, 11 β-strands

Element	Residues	Length	Sheet
β-strand	48-53	6	1
β-strand	56-61	6	1
β-strand	64-72	9	2
β-strand	76-83	8	2
β-strand	88-95	8	2
α-helix	102-117	16
β-strand	123	1	3
α-helix	124-125	2
β-strand	126-130	5	2
β-strand	143-147	5	2
α-helix	148-149	2
β-strand	151-152	2	3
α-helix	153-156	4
α-helix	163-182	20
α-helix	192-194	3
β-strand	195-197	3	3
β-strand	203-205	3	3
α-helix	212-214	3
α-helix	232-235	4
α-helix	244-258	15
α-helix	268-279	12
α-helix	281-283	3
α-helix	284-287	4
α-helix	292-300	9
α-helix	302-303	2
α-helix	309-312	4
α-helix	315-317	3
α-helix	323-339	17
α-helix	344-346	3
α-helix	348-349	2
α-helix	350-355	6
α-helix	357-360	4
α-helix	365-368	4
α-helix	370-373	4
α-helix	387-399	13

Chain B: 21 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	48-53	6	4
β-strand	56-61	6	4
β-strand	64-73	10	5
β-strand	76-83	8	5
β-strand	88-96	9	5
α-helix	102-117	16
β-strand	123	1	6
β-strand	126-130	5	5
β-strand	141-147	7	5
α-helix	148-149	2
β-strand	151-152	2	6
α-helix	153-158	6
α-helix	163-182	20
α-helix	192-194	3
β-strand	195-197	3	6
β-strand	203-205	3	6
α-helix	232-235	4
α-helix	244-258	15
α-helix	268-279	12
α-helix	281-283	3
α-helix	284-288	5
α-helix	292-300	9
α-helix	304-306	3
α-helix	309-312	4
α-helix	315-317	3
α-helix	323-339	17
α-helix	348-349	2
α-helix	350-354	5
α-helix	360-362	3
α-helix	365-368	4
α-helix	370-372	3
α-helix	387-399	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Mitogen-activated protein kinase 10	A, B	protein	367	Homo sapiens	P53779 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6EQ9_1 Mitogen-activated protein kinase 10 (chains A, B)
GGSMSKSKVDNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKL
SRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQ
VIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAG
TSFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKV
IEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDL
LSKMLVIDPAKRISVDDALQHPYINVWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIY
KEVMNSE

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	1
ACP	Phosphomethylphosphonic acid adenylate ester	C11 H18 N5 O12 P3	2
C15	N-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate	C17 H38 N O3 S	1

Water and common crystallization additives (NA, BME, PEG, CL) are not listed.

Primary citation

Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3. Ansideri, F., Macedo, J.T., Eitel, M. et al. ACS Omega (2018) 3:7809-7831. DOI 10.1021/acsomega.8b00668 · PubMed

Other PDB entries of the same protein (UniProt P53779 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3OY1 1.7 Å, Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like…
7ORF 1.7 Å, Crystal structure of JNK3 in complex with FMU-001-367 (compound 1)
7KSI 1.73 Å, Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and…
6EMH 1.76 Å, Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor
4WHZ 1.79 Å, Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies…
7KSK 1.84 Å, Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and…
8WGF 1.85 Å, The Crystal Structure of JNK3 from Biortus.
8BZP 1.86 Å, JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a…
2B1P 1.9 Å, inhibitor complex of JNK3
4W4W 1.9 Å, JNK2/3 in complex with N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-…
4X21 1.95 Å, The MAP kinase JNK3 as target for halogen bonding
4H39 1.99 Å, Crystal Structure of JNK3 in Complex with JIP1 Peptide

Browse structure collections

About this viewer

MolViewer shows 6EQ9 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.