› 3q53

X-ray diffraction
2.09Å resolution

Structure of phosphorylated PAK1 kinase domain in complex with ATP

Released:
DOI: 10.2210/pdb3q53/pdb
PDB entry 3q53 coloured by chain, front view.
PDB entry 3q53 coloured by chain, side view.
PDB entry 3q53 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural insights into the autoactivation mechanism of p21-activated protein kinase.
Wang J, Wu JW, Wang ZX
Structure 19 1752-61 (2011)
PMID: 22153498

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171568 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PAK 1 Chain: A
Molecule details ›
Chain: A
Length: 306 amino acids
Theoretical weight: 34.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13153 (Residues: 248-545; Coverage: 55%)
Gene name: PAK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ATP 1 x ATP
Ligand MG 2 x MG
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: C2221
Unit cell:
a: 48.982Å b: 103.588Å c: 121.967Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.178 0.223
Expression system: Escherichia coli

Quick links

Citations

12 review citations

How Do Protein Kinases Take a Selfie (Autophosphorylate)?
Beenstock et al. (2016)
11 more

6 mentions without citation

Structural features of the protein kinase domain and targeted binding by small-molecule inhibitors.
Arter et al. (2022)
5 more