› 4x2n

X-ray diffraction
1.8Å resolution

Selection of fragments for kinase inhibitor design: decoration is key

Released:
DOI: 10.2210/pdb4x2n/pdb
PDB entry 4x2n coloured by chain, front view.
PDB entry 4x2n coloured by chain, side view.
PDB entry 4x2n coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selection of fragments for kinase inhibitor design: decoration is key.
Czodrowski P, Hölzemann G, Barnickel G, Greiner H, Musil D
J Med Chem 58 457-65 (2015)
PMID: 25437144

Function and Biology Details

Reaction catalysed: 
ATP + [receptor-protein] = ADP + [receptor-protein] phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153250 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
TGF-beta receptor type-1 Chain: A
Molecule details ›
Chain: A
Length: 305 amino acids
Theoretical weight: 34.88 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P36897 (Residues: 200-503; Coverage: 65%)
Gene names: ALK5, SKR4, TGFBR1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P212121
Unit cell:
a: 41.81Å b: 77.89Å c: 90.25Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.161 0.201
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

Structural biology of the TGFβ family.
Goebel et al. (2019)
1 more

1 mention without citation

Polymodal allosteric regulation of Type 1 Serine/Threonine Kinase Receptors via a conserved electrostatic lock.
Botello-Smith et al. (2017)