8TB6: TYK2 JH2

TYK2 JH2 bound to Compound14. Determined by X-ray diffraction at 1.96 Å resolution. Released 18 Oct 2023.

Method: X-ray diffraction
Resolution: 1.96 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,285
Mol. weight: 73.72 kDa
Ligands: ZOI
Released: 18 Oct 2023

Explore 8TB6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8TB6 contains 38 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.

Chain A: 19 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	638-644	7	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	795-808	14
α-helix	812-813	2
α-helix	820-828	9
α-helix	831-836	6
α-helix	839-841	3
α-helix	842-848	7
α-helix	853-855	3
α-helix	857-858	2
α-helix	859-868	10

Chain B: 19 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	583-584	2	3
α-helix	586-588	3
β-strand	589-598	10	3
β-strand	601-608	8	3
β-strand	637-644	8	3
α-helix	645	1
α-helix	649-663	15
β-strand	670	1	4
β-strand	673-679	7	3
β-strand	682-688	7	3
β-strand	694	1	4
α-helix	695-701	7
α-helix	708-727	20
α-helix	737-739	3
β-strand	740-744	5	4
β-strand	754-757	4	4
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	812-814	3
α-helix	820-828	9
α-helix	831-836	6
α-helix	839-841	3
α-helix	842-848	7
α-helix	853-855	3
α-helix	857-858	2
α-helix	859-866	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Non-receptor tyrosine-protein kinase TYK2	A, B	protein	326	Homo sapiens	P29597 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8TB6_1 Non-receptor tyrosine-protein kinase TYK2 (chains A, B)
AHHHHHHHHHHGALEVLFQGPGARASPRTLNLSQLSFHRVDQKEITQLSHLGQGTRTNVY
EGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQ
VSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSY
LENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECL
PGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATL
TSQCLTYEPTQRPSFRTILRDLTRLQ

Ligands and cofactors

ID	Name	Formula	Copies
ZOI	N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c…	C19 H21 N5 O3	2

Primary citation

Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712. Breinlinger, E., Van Epps, S., Friedman, M. et al. J Med Chem (2023) 66:14335-14356. DOI 10.1021/acs.jmedchem.3c01373 · 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…
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
4GIH 2.0 Å, Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BEN…

Browse structure collections

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