› 3q4u

X-ray diffraction
1.82Å resolution

Crystal structure of the ACVR1 kinase domain in complex with LDN-193189

Released:
DOI: 10.2210/pdb3q4u/pdb
PDB entry 3q4u coloured by chain, front view.
PDB entry 3q4u coloured by chain, side view.
PDB entry 3q4u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A new class of small molecule inhibitor of BMP signaling.
Sanvitale CE, Kerr G, Chaikuad A, Ramel MC, Mohedas AH, Reichert S, Wang Y, Triffitt JT, Cuny GD, Yu PB, Hill CS, Bullock AN
PLoS One 8 e62721 (2013)
PMID: 23646137

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170071 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Activin receptor type-1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 301 amino acids
Theoretical weight: 34.54 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q04771 (Residues: 201-499; Coverage: 61%)
Gene names: ACVR1, ACVRLK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand LDN 4 x LDN
Ligand EDO 14 x EDO
Ligand FLC 12 x FLC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 83.6Å b: 98.7Å c: 83.85Å
α: 90° β: 117.42° γ: 90°
R-values:
R R work R free
0.166 0.163 0.219
Expression system: Spodoptera frugiperda

Quick links

Citations

37 review citations

Bone Morphogenetic Proteins.
Katagiri et al. (2016)
36 more

10 mentions without citation

A new class of small molecule inhibitor of BMP signaling.
Sanvitale et al. (2013)
9 more