› 7be6

X-ray diffraction
1.87Å resolution

Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159

Released:
DOI: 10.2210/pdb7be6/pdb
Model geometry
Fit model/data
PDB entry 7be6 coloured by chain, front view.
PDB entry 7be6 coloured by chain, side view.
PDB entry 7be6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
Röhm S, Berger BT, Schröder M, Chatterjee D, Mathea S, Joerger AC, Pinkas DM, Bufton JC, Tjaden A, Kovooru L, Kudolo M, Pohl C, Bullock AN, Müller S, Laufer S, Knapp S
J Med Chem 64 13451-13474 (2021)
PMID: 34506142

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: 315 amino acids
Theoretical weight: 35.75 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q08345 (Residues: 601-913; Coverage: 35%)
Gene names: CAK, DDR1, EDDR1, NEP, NTRK4, PTK3A, RTK6, TRKE
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

4 bound ligands:
Ligand EDO 7 x EDO
Ligand PO4 1 x PO4
Ligand SO4 1 x SO4
Ligand TJW 1 x TJW
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21212
Unit cell:
a: 63.023Å b: 131.967Å c: 43.803Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.187 0.23
Expression system: Spodoptera frugiperda

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