Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• MVE · cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 4 copies · chains A, B
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains B
• EDO · 1,2-ethanediol · additive · chains A, B
• TLA · L(+)-tartaric acid · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 6T8N · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 · the same entry in another collection · chain A against A, TM-score 1.00
• Q04771 · AlphaFold monomer V2.0 prediction for activin receptor type-1 (Q04771) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q04771
• Elsewhere: RCSB PDB 6T8N · PDBe 6T8N · UniProt Q04771