› 6hp9

X-ray diffraction
1.96Å resolution

Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor

Released:
DOI: 10.2210/pdb6hp9/pdb
PDB entry 6hp9 coloured by chain, front view.
PDB entry 6hp9 coloured by chain, side view.
PDB entry 6hp9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy.
Zhu D, Huang H, Pinkas DM, Luo J, Ganguly D, Fox AE, Arner E, Xiang Q, Tu ZC, Bullock AN, Brekken RA, Ding K, Lu X
J Med Chem 62 7431-7444 (2019)
PMID: 31310125

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 Chains: A, B
Molecule details ›
Chains: A, B
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
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand GKB 2 x GKB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 62.51Å b: 65.89Å c: 162.88Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.205 0.251
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

The Journey of DDR1 and DDR2 Kinase Inhibitors as Rising Stars in the Fight Against Cancer.
Elkamhawy et al. (2021)
3 more

1 mention without citation

2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy.
Zhu et al. (2019)