› 7run

X-ray diffraction
3.51Å resolution

Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor.

Released:
DOI: 10.2210/pdb7run/pdb
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PDB entry 7run coloured by chain, front view.
PDB entry 7run coloured by chain, side view.
PDB entry 7run coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3-d]pyrimidine RET Inhibitors.
Mathison CJN, Yang Y, Nelson J, Huang Z, Jiang J, Chianelli D, Rucker PV, Roland J, Xie YF, Epple R, Bursulaya B, Lee C, Gao MY, Shaffer J, Briones S, Sarkisova Y, Galkin A, Li L, Li N, Li C, Hua S, Kasibhatla S, Kinyamu-Akunda J, Kikkawa R, Molteni V, Tellew JE
ACS Med Chem Lett 12 1912-1919 (2021)
PMID: 34917254

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139853 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Soluble RET kinase fragment Chains: A, B
Molecule details ›
Chains: A, B
Length: 334 amino acids
Theoretical weight: 38.66 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P07949 (Residues: 705-1013; Coverage: 29%)
Gene names: CDHF12, CDHR16, PTC, RET
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

2 bound ligands:
Ligand CL 2 x CL
Ligand 7QU 2 x 7QU
2 modified residues:
Ligand PTR 6 x PTR
Ligand SEP 2 x SEP

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P63
Unit cell:
a: 98.131Å b: 98.131Å c: 145.381Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.222 0.22 0.247
Expression system: Spodoptera frugiperda

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