› 5lw1

X-ray diffraction
3.2Å resolution

Crystal structure of DARPin-DARPin rigid fusion, variant DD_232_11_D12 in complex JNK1a1 and JIP1 peptide

Released:
DOI: 10.2210/pdb5lw1/pdb
PDB entry 5lw1 coloured by chain, front view.
PDB entry 5lw1 coloured by chain, side view.
PDB entry 5lw1 coloured by chain, top view.
Source organisms:
Primary publication:
Structural Basis for the Selective Inhibition of c-Jun N-Terminal Kinase 1 Determined by Rigid DARPin-DARPin Fusions.
Wu Y, Honegger A, Batyuk A, Mittl PRE, Plückthun A
J Mol Biol 430 2128-2138 (2018)
PMID: 29126898

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
hetero trimer
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-155381 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
DD_232_11_D12 Chains: A, D, G
Molecule details ›
Chains: A, D, G
Length: 326 amino acids
Theoretical weight: 35.25 KDa
Source organism: synthetic construct
Expression system: Escherichia coli K-12
Mitogen-activated protein kinase 8 Chains: B, E, H
Molecule details ›
Chains: B, E, H
Length: 373 amino acids
Theoretical weight: 43.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P45983 (Residues: 2-363; Coverage: 85%)
Gene names: JNK1, MAPK8, PRKM8, SAPK1, SAPK1C
Sequence domains: Protein kinase domain
Structure domains:
C-Jun-amino-terminal kinase-interacting protein 1 Chains: C, F, I
Molecule details ›
Chains: C, F, I
Length: 11 amino acids
Theoretical weight: 1.35 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9UQF2 (Residues: 157-167; Coverage: 2%)
Gene names: IB1, JIP1, MAPK8IP1, PRKM8IP
Pepstatin Chain: L
Molecule details ›
Chain: L
Length: 6 amino acids
Theoretical weight: 686 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 24 x SO4
Ligand ADN 3 x ADN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 219.99Å b: 141.76Å c: 119.85Å
α: 90° β: 97.83° γ: 90°
R-values:
R R work R free
0.177 0.175 0.212
Expression systems:
  • Escherichia coli K-12
  • Not provided

Quick links

Citations

2 review citations

Cytoskeleton and Associated Proteins: Pleiotropic JNK Substrates and Regulators.
Benoit et al. (2021)
1 more

2 mentions without citation

Electroacupuncture Treats Myocardial Infarction by Influencing the Regulation of Substance P in the Neurovascular to Modulate PGI2/TXA2 Metabolic Homeostasis via PI3K/AKT Pathway: A Bioinformatics-Based Multiomics and Experimental Study.
Zhang et al. (2022)
1 more