› 6nsl

X-ray diffraction
2.15Å resolution

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE

Released:
DOI: 10.2210/pdb6nsl/pdb
Model geometry
Fit model/data
PDB entry 6nsl coloured by chain, front view.
PDB entry 6nsl coloured by chain, side view.
PDB entry 6nsl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Liu C, Lin J, Moslin R, Tokarski JS, Muckelbauer J, Chang C, Tredup J, Xie D, Park H, Li P, Wu DR, Strnad J, Zupa-Fernandez A, Cheng L, Chaudhry C, Chen J, Chen C, Sun H, Elzinga P, D'arienzo C, Gillooly K, Taylor TL, McIntyre KW, Salter-Cid L, Lombardo LJ, Carter PH, Aranibar N, Burke JR, Weinstein DS
ACS Med Chem Lett 10 383-388 (2019)
PMID: 30891145

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-151548 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Non-receptor tyrosine-protein kinase TYK2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 317 amino acids
Theoretical weight: 35.5 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29597 (Residues: 575-869; Coverage: 25%)
Gene name: TYK2
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

2 bound ligands:
Ligand KZJ 2 x KZJ
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 70.015Å b: 65.654Å c: 74.68Å
α: 90° β: 112.7° γ: 90°
R-values:
R R work R free
0.203 0.202 0.213
Expression system: Spodoptera frugiperda

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Citations

3 review citations

TYK2: An Upstream Kinase of STATs in Cancer.
Wöss et al. (2019)
2 more

1 mention without citation

Biosynthesis of miglitol intermediate 6-(N-hydroxyethyl)-amino-6-deoxy-α-l-sorbofuranose by an improved d-sorbitol dehydrogenase from Gluconobacter oxydans.
Ke et al. (2018)

PDB-REDO

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