› 5e90

X-ray diffraction
2.05Å resolution

TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F) 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/pdb5e90/pdb
PDB entry 5e90 coloured by chain, front view.
PDB entry 5e90 coloured by chain, side view.
PDB entry 5e90 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-153250 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
TGF-beta receptor type-1 Chain: A
Molecule details ›
Chain: A
Length: 307 amino acids
Theoretical weight: 35.23 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 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: 42.17Å b: 76.78Å c: 91.37Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.218
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