› 6c83

X-ray diffraction
2.55Å resolution

Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP

Released:
DOI: 10.2210/pdb6c83/pdb
PDB entry 6c83 coloured by chain, front view.
PDB entry 6c83 coloured by chain, side view.
PDB entry 6c83 coloured by chain, top view.
Source organisms:
Primary publication:
Allosteric modulation of a human protein kinase with monobodies.
Zorba A, Nguyen V, Koide A, Hoemberger M, Zheng Y, Kutter S, Kim C, Koide S, Kern D
Proc Natl Acad Sci U S A 116 13937-13942 (2019)
PMID: 31239342

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

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127239 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Aurora kinase A Chains: A, B
Molecule details ›
Chains: A, B
Length: 285 amino acids
Theoretical weight: 32.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O14965 (Residues: 122-403; Coverage: 70%)
Gene names: AIK, AIRK1, ARK1, AURA, AURKA, AYK1, BTAK, IAK1, STK15, STK6
Sequence domains: Protein kinase domain
Mb2 Monobody Chains: C, D
Molecule details ›
Chains: C, D
Length: 93 amino acids
Theoretical weight: 9.85 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins

Ligands and Environments

1 bound ligand:
Ligand ACP 2 x ACP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 63.047Å b: 69.916Å c: 173.718Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.268 0.264 0.322
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

PI3K inhibitors: review and new strategies.
Zhang et al. (2020)
6 more

5 mentions without citation

Monobodies as tool biologics for accelerating target validation and druggable site discovery.
Akkapeddi et al. (2021)
4 more