› 6qft

X-ray diffraction
2.7Å resolution

Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b

Released:
DOI: 10.2210/pdb6qft/pdb
Model geometry
Fit model/data
PDB entry 6qft coloured by chain, front view.
PDB entry 6qft coloured by chain, side view.
PDB entry 6qft coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
Wolle P, Engel J, Smith S, Goebel L, Hennes E, Lategahn J, Rauh D
J Med Chem 62 5541-5546 (2019)
PMID: 31083997

Function and Biology Details

Reaction catalysed: 
ATP + L-seryl/L-threonyl/L-tyrosyl-[protein] = ADP + O-phospho-L-seryl/O-phospho-L-threonyl/O-phospho-L-tyrosyl-[protein]
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127070 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity mitogen-activated protein kinase kinase 7 Chain: A
Molecule details ›
Chain: A
Length: 318 amino acids
Theoretical weight: 36.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14733 (Residues: 101-408; Coverage: 74%)
  • Best match: O14733-2 (Residues: 150-451)
Gene names: JNKK2, MAP2K7, MEK7, MKK7, PRKMK7, SKK4
Sequence domains: Protein kinase domain
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

1 bound ligand:
Ligand J0B 1 x J0B
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 60.4Å b: 67.1Å c: 85Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.24 0.236 0.287
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Recent developments in anticancer kinase inhibitors based on the pyrazolo[3,4-d]pyrimidine scaffold.
Baillache et al. (2020)
3 other articles

1 mention without citation

Profiling MAP kinase cysteines for targeted covalent inhibitor design.
Liu et al. (2022)

PDB-REDO

The sliders below show the change in model quality between original PDB entry and the PDB-REDO entry

Model Geometry
 
 
Data not available
DNA/RNA Geometry
 
 
Data not available
Fit model/data
 
 
Data not available
PDB-REDO