› 6eix

X-ray diffraction
2.3Å resolution

Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with a 2-aminopyridine inhibitor K02288

Released:
DOI: 10.2210/pdb6eix/pdb
PDB entry 6eix coloured by chain, front view.
PDB entry 6eix coloured by chain, side view.
PDB entry 6eix coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Williams EP, Canning P, Sanvitale CE, Krojer T, Allerston CK, von Delft F, Arrowsmith CH, Edwards AM, Bountra C, Bullock AN

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 Chain: A
Molecule details ›
Chain: A
Length: 340 amino acids
Theoretical weight: 38.52 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q04771 (Residues: 172-509; Coverage: 69%)
Gene names: ACVR1, ACVRLK2
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand A3F 1 x A3F
Ligand EDO 9 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2
Unit cell:
a: 81.56Å b: 66.99Å c: 62.22Å
α: 90° β: 91.04° γ: 90°
R-values:
R R work R free
0.191 0.188 0.249
Expression system: Spodoptera frugiperda

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