› 3ama

X-ray diffraction
1.75Å resolution

Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621

Released:
DOI: 10.2210/pdb3ama/pdb
PDB entry 3ama coloured by chain, front view.
PDB entry 3ama coloured by chain, side view.
PDB entry 3ama coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase.
Pflug A, de Oliveira TM, Bossemeyer D, Engh RA
Biochem J 440 85-93 (2011)
PMID: 21774789

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148114 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
cAMP-dependent protein kinase catalytic subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 351 amino acids
Theoretical weight: 40.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P17612 (Residues: 1-351; Coverage: 100%)
Gene names: PKACA, PRKACA
Sequence domains: Protein kinase domain
Structure domains:
cAMP-dependent protein kinase inhibitor alpha Chain: B
Molecule details ›
Chain: B
Length: 20 amino acids
Theoretical weight: 2.23 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P61925 (Residues: 6-25; Coverage: 26%)
Gene names: PKIA, PRKACN1

Ligands and Environments

1 bound ligand:
Ligand SKE 1 x SKE
2 modified residues:
Ligand SEP 2 x SEP
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 72.42Å b: 74.72Å c: 80.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.196 0.223
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

4 citation in other articles

A phase I study of MK-5108, an oral aurora a kinase inhibitor, administered both as monotherapy and in combination with docetaxel, in patients with advanced or refractory solid tumors.
Amin et al. (2016)
3 more

4 mentions without citation

Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
Puleo et al. (2017)
3 more