› 5fri

X-ray diffraction
2Å resolution

ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor.

Released:
DOI: 10.2210/pdb5fri/pdb
PDB entry 5fri coloured by chain, front view.
PDB entry 5fri coloured by chain, side view.
PDB entry 5fri coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification and optimisation of a series of N-(4-anilino-2-pyridyl)acetamide activin receptor-like kinase 1 (ALK1) inhibitors
Goldberg FW, Daunt P, Pearson SE, Greenwood R, Debreczeni J, Grist M
Med. Chem. Commun. 7 1204-1208 (2016)

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-153250 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
TGF-beta receptor type-1 Chain: A
Molecule details ›
Chain: A
Length: 301 amino acids
Theoretical weight: 34.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P36897 (Residues: 200-498; Coverage: 64%)
Gene names: ALK5, SKR4, TGFBR1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand EDO 2 x EDO
Ligand ZUQ 1 x ZUQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: P212121
Unit cell:
a: 41.96Å b: 76.7Å c: 89.07Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.162 0.193
Expression system: Escherichia coli

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