› 5f20

X-ray diffraction
2.91Å resolution

Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one

Released:
DOI: 10.2210/pdb5f20/pdb
PDB entry 5f20 coloured by chain, front view.
PDB entry 5f20 coloured by chain, side view.
PDB entry 5f20 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
Yogo T, Nagamiya H, Seto M, Sasaki S, Shih-Chung H, Ohba Y, Tokunaga N, Lee GN, Rhim CY, Yoon CH, Cho SY, Skene R, Yamamoto S, Satou Y, Kuno M, Miyazaki T, Nakagawa H, Okabe A, Marui S, Aso K, Yoshida M
J Med Chem 59 733-49 (2016)
PMID: 26701356

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: 301 amino acids
Theoretical weight: 34.84 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: P29597 (Residues: 884-1176; Coverage: 25%)
Gene name: TYK2
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 5U4 1 x 5U4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P6122
Unit cell:
a: 48.332Å b: 48.332Å c: 477.344Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.206 0.201 0.288
Expression system: unidentified baculovirus

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Citations

2 review citations

Novel therapies for immune-mediated inflammatory diseases: What can we learn from their use in rheumatoid arthritis, spondyloarthritis, systemic lupus erythematosus, psoriasis, Crohn's disease and ulcerative colitis?
Baker et al. (2018)
1 more