› 4tpt

X-ray diffraction
2.6Å resolution

Crystal Structure of the Human LIMK2 Kinase Domain In Complex With a Non-ATP Competitive Inhibitor

Released:
DOI: 10.2210/pdb4tpt/pdb
PDB entry 4tpt coloured by chain, front view.
PDB entry 4tpt coloured by chain, side view.
PDB entry 4tpt coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Type III Inhibitor of LIM Kinase 2 That Binds in a DFG-Out Conformation.
Goodwin NC, Cianchetta G, Burgoon HA, Healy J, Mabon R, Strobel ED, Allen J, Wang S, Hamman BD, Rawlins DB
ACS Med Chem Lett 6 53-7 (2015)
PMID: 25589930

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156849 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
LIM domain kinase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 303 amino acids
Theoretical weight: 34.58 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: P53671 (Residues: 330-632; Coverage: 48%)
Gene name: LIMK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 35H 2 x 35H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21
Unit cell:
a: 51.569Å b: 77.903Å c: 86.387Å
α: 90° β: 100.84° γ: 90°
R-values:
R R work R free
0.223 0.22 0.274
Expression system: unidentified baculovirus

Quick links

Citations

8 review citations

LIM kinases: cofilin and beyond.
Prunier et al. (2017)
7 more

8 mentions without citation

Progress in the therapeutic inhibition of Cdc42 signalling.
Murphy et al. (2021)
7 more