7AX4: Human TYK2 pseudokinase domain

Human TYK2 pseudokinase domain (575-869) in complex with 5-(4-Fluoro-phenyl)-2-ureido-thiophene-3-carboxylic acid amide. Determined by X-ray diffraction at 2.12 Å resolution. Released 14 Apr 2021.

Method: X-ray diffraction
Resolution: 2.12 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,586
Mol. weight: 66.62 kDa
Ligands: CA, NM7
Released: 14 Apr 2021

Explore 7AX4 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7AX4 contains 34 α-helices and 20 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chains A and B: 17 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	583-584	2	1
α-helix	586-588	3
β-strand	589-598	10	1
β-strand	601-608	8	1
β-strand	637-644	8	1
α-helix	645	1
α-helix	649-663	15
β-strand	670	1	2
β-strand	673-679	7	1
β-strand	682-688	7	1
β-strand	694	1	2
α-helix	695-701	7
α-helix	708-727	20
α-helix	737-739	3
β-strand	740-744	5	2
β-strand	754-757	4	2
α-helix	758-759	2
α-helix	764-766	3
α-helix	769-774	6
α-helix	781-783	3
α-helix	794-808	15
α-helix	820-828	9
α-helix	831-834	4
α-helix	839-848	10
α-helix	853-855	3
α-helix	857-858	2
α-helix	859-867	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Non-receptor tyrosine-protein kinase TYK2	A, B	protein	295	Homo sapiens	P29597 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7AX4_1 Non-receptor tyrosine-protein kinase TYK2 (chains A, B)
NLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRG
QELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGP
LDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPF
IKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAP
LQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTRL

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	2
NM7	2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide	C12 H10 F N3 O2 S	2

Primary citation

Reducing False Positives through the Application of Fluorescence Lifetime Technology: A Comparative Study Using TYK2 Kinase as a Model System. Greenhough, L.A., Clarke, G., Phillipou, A.N. et al. SLAS Discov (2021) 26:663-675. DOI 10.1177/24725552211002472 · PubMed

Other PDB entries of the same protein (UniProt P29597 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3LXP 1.65 Å, Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in…
8S99 1.71 Å, Crystal structure of the TYK2 pseudokinase domain in complex with compound 11
4WOV 1.8 Å, Crystal structure of tyrosine kinase 2 JH2 (pseudo kinase domain) complexed with bms-066…
8S9A 1.83 Å, Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279
8S98 1.87 Å, Crystal structure of the TYK2 pseudokinase domain in complex with compound 8
5C03 1.9 Å, Crystal Structure of kinase
5TKD 1.92 Å, Crystal structure of tyrosine kinase 2 JH2 (pseudo kinase domain) complexed with…
6NZE 1.96 Å, Crystal structure of tyrosine kinase 2 JH2 (pseudo kinase domain) complexed with…
8TB6 1.96 Å, TYK2 JH2 bound to Compound14
6AAM 1.98 Å, Crystal structure of TYK2 in complex with peficitinib
4PO6 1.99 Å, Crystal structure of the human TYK2 FERM and SH2 domains with an IFNAR1 intracellular…
3NZ0 2.0 Å, Non-phosphorylated TYK2 kinase with CMP6

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