› 5e91

X-ray diffraction
2.42Å resolution

TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH 3-AMINO-6-[4-(2- HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL] PYRAZINE-2-CARBOXAMIDE

Released:
DOI: 10.2210/pdb5e91/pdb
PDB entry 5e91 coloured by chain, front view.
PDB entry 5e91 coloured by chain, side view.
PDB entry 5e91 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of apo and inhibitor-bound TGFβR2 kinase domain: insights into TGFβR isoform selectivity.
Tebben AJ, Ruzanov M, Gao M, Xie D, Kiefer SE, Yan C, Newitt JA, Zhang L, Kim K, Lu H, Kopcho LM, Sheriff S
Acta Crystallogr D Struct Biol 72 658-74 (2016)
PMID: 27139629

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-153364 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
TGF-beta receptor type-2 Chain: A
Molecule details ›
Chain: A
Length: 316 amino acids
Theoretical weight: 35.84 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P37173 (Residues: 237-549; Coverage: 57%)
Gene name: TGFBR2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 5L4 1 x 5L4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 64.86Å b: 75.77Å c: 75.07Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.208 0.242
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2.
Williams et al. (2018)
1 more

1 mention without citation

Network Pharmacology and Experimental Validation to Explore the Mechanism of Qing-Jin-Hua-Tan-Decoction Against Acute Lung Injury.
Xiao et al. (2022)