› 4c02

X-ray diffraction
2.17Å resolution

Crystal structure of human ACVR1 (ALK2) in complex with FKBP12.6 and dorsomorphin

Released:
DOI: 10.2210/pdb4c02/pdb
PDB 4c02 coloured by chain and viewed from the front.
PDB 4c02 coloured by chain and viewed from the side.
PDB 4c02 coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Crystal Structure of Human Acvr1 (Alk2) in Complex with Fkbp12.6 And Dorsomorphin
Williams E, Riesebos E, Vollmar M, Krojer T, Bradley A, Shrestha L, Kupinska K, von Delft F, Arrowsmith CH, Edwards AM, Bountra C, Bullock A
To be published

Function and Biology Details

Reactions catalysed: 
ATP + [receptor-protein] = ADP + [receptor-protein] phosphate
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (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:
Structure domains:
Peptidyl-prolyl cis-trans isomerase FKBP1B Chain: B
Molecule details ›
Chain: B
Length: 108 amino acids
Theoretical weight: 11.8 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P68106 (Residues: 1-108; Coverage: 100%)
Gene names: FKBP12.6, FKBP1B, FKBP1L, FKBP9, OTK4
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase

Ligands and Environments

3 bound ligands:
Ligand FLC 8 x FLC
Ligand TAK 1 x TAK
Ligand EDO 13 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P4132
Unit cell:
a: 182.33Å b: 182.33Å c: 182.33Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.198
Expression systems:
  • Spodoptera frugiperda
  • Escherichia coli BL21(DE3)

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