6i1s

X-ray diffraction
1.52Å resolution

Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
PDBe Complex ID:
PDB-CPX-158813 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Activin receptor type-1 Chain: A
Molecule details ›
Chain: A
Length: 330 amino acids
Theoretical weight: 37.4 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q04771 (Residues: 172-499; Coverage: 67%)
Gene names: ACVR1, ACVRLK2
Sequence domains:
Peptidyl-prolyl cis-trans isomerase FKBP1A Chain: B
Molecule details ›
Chain: B
Length: 109 amino acids
Theoretical weight: 12.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P62942 (Residues: 1-108; Coverage: 100%)
Gene names: FKBP1, FKBP12, FKBP1A
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 44.309Å b: 108.599Å c: 114.389Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.193
Expression systems:
  • Spodoptera frugiperda
  • Escherichia coli BL21(DE3)