6EMH: JNK3

Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor. Determined by X-ray diffraction at 1.76 Å resolution. Released 8 Aug 2018.

Method

X-ray diffraction

Resolution

1.76 Å

Organism

Homo sapiens

Chains

4

Atoms

12,089

Mol. weight

172.2 kDa

Ligands

BGE, C15

Released

8 Aug 2018

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

Secondary structure: helices and β-sheets

6EMH contains 86 α-helices and 44 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.

Chain A: 23 helices, 11 β-strands

Molecules and chains

>6EMH_1 Mitogen-activated protein kinase 10 (chains A, B, C, D)
GGSMSKSKVDNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKL
SRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQ
VIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAG
TSFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKV
IEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDL
LSKMLVIDPAKRISVDDALQHPYINVWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIY
KEVMNSE

Ligands and cofactors

Water and common crystallization additives (BME, CL, EDO, PEG, GOL) 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

Related structures

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…
• 4WHZ 1.79 Å, Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies…
• 6EQ9 1.83 Å, Crystal structure of JNK3 in complex with AMP-PCP
• 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 6EMH 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.