› 7feh

X-ray diffraction
1.61Å resolution

Crystal structure of human DDR1 in complex with CH5541127

Released:
DOI: 10.2210/pdb7feh/pdb
PDB entry 7feh coloured by chain, front view.
PDB entry 7feh coloured by chain, side view.
PDB entry 7feh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel potent and highly selective DDR1 inhibitors from integrated lead finding
Kuhn B, Ritter M, Benz J, Kocer B, Sarie JC, Hochstrasser R, Rudolph MG, Kadono S, Matsuura T, Murata T, Richter H, Prunotto M
Medicinal Chemistry Research 32 1400-1425 (2023)

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170636 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epithelial discoidin domain-containing receptor 1 Chain: A
Molecule details ›
Chain: A
Length: 320 amino acids
Theoretical weight: 36.21 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q08345 (Residues: 593-913; Coverage: 35%)
Gene names: CAK, DDR1, EDDR1, NEP, NTRK4, PTK3A, RTK6, TRKE
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

2 bound ligands:
Ligand 3UI 1 x 3UI
Ligand NO3 2 x NO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 40.39Å b: 61.7Å c: 63.11Å
α: 90° β: 106.22° γ: 90°
R-values:
R R work R free
0.168 0.166 0.206
Expression system: Spodoptera frugiperda

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