› 4gih

X-ray diffraction
2Å resolution

Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE

Released:
DOI: 10.2210/pdb4gih/pdb
PDB entry 4gih coloured by chain, front view.
PDB entry 4gih coloured by chain, side view.
PDB entry 4gih coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Lead identification of novel and selective TYK2 inhibitors.
Liang J, Tsui V, Van Abbema A, Bao L, Barrett K, Beresini M, Berezhkovskiy L, Blair WS, Chang C, Driscoll J, Eigenbrot C, Ghilardi N, Gibbons P, Halladay J, Johnson A, Kohli PB, Lai Y, Liimatta M, Mantik P, Menghrajani K, Murray J, Sambrone A, Xiao Y, Shia S, Shin Y, Smith J, Sohn S, Stanley M, Ultsch M, Zhang B, Wu LC, Magnuson S
Eur J Med Chem 67 175-87 (2013)
PMID: 23867602

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 Chain: A
Molecule details ›
Chain: A
Length: 302 amino acids
Theoretical weight: 34.75 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29597 (Residues: 885-1176; Coverage: 25%)
Gene name: TYK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 0X5 1 x 0X5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P212121
Unit cell:
a: 36.165Å b: 74.378Å c: 105.855Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.188 0.217
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Selective JAK inhibitors in development for rheumatoid arthritis.
Norman P. (2014)
4 more

15 mentions without citation

Pilus biogenesis of Gram-positive bacteria: Roles of sortases and implications for assembly.
Khare et al. (2017)
14 more