› 6t6d

X-ray diffraction
2.56Å resolution

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149

Released:
DOI: 10.2210/pdb6t6d/pdb
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PDB entry 6t6d coloured by chain, front view.
PDB entry 6t6d coloured by chain, side view.
PDB entry 6t6d coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
Ensan D, Smil D, Zepeda-Velázquez CA, Panagopoulos D, Wong JF, Williams EP, Adamson R, Bullock AN, Kiyota T, Aman A, Roberts OG, Edwards AM, O'Meara JA, Isaac MB, Al-Awar R
OpenAccess logo J Med Chem 63 4978-4996 (2020)
PMID: 32369358

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-170070 (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 kinase domain

Ligands and Environments

2 bound ligands:
Ligand MM8 4 x MM8
Ligand SO4 11 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2
Unit cell:
a: 198.091Å b: 101.882Å c: 84.271Å
α: 90° β: 111.429° γ: 90°
R-values:
R R work R free
0.224 0.222 0.272
Expression system: Spodoptera frugiperda

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Citations

3 review citations

Structural perspective of BMP ligands and signaling.
Gipson et al. (2020)
2 more

2 mentions without citation

Recent Advances in ALK2 Inhibitors.
Rooney et al. (2021)
1 more

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