7UYU: TYK2 kinase domain

Crystal structure of TYK2 kinase domain in complex with compound 30. Determined by X-ray diffraction at 2.05 Å resolution. Released 24 Aug 2022.

Method: X-ray diffraction
Resolution: 2.05 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,200
Mol. weight: 34.17 kDa
Ligands: OV0
Released: 24 Aug 2022

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

Secondary structure: helices and β-sheets

7UYU contains 19 α-helices and 14 β-strands across 1 chain. 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, 14 β-strands

Element	Residues	Length	Sheet
β-strand	891-892	2	1
α-helix	894-896	3
β-strand	897-906	10	1
β-strand	909-916	8	1
α-helix	925	1
β-strand	926-931	6	1
α-helix	942-953	12
β-strand	959	1	2
α-helix	960-961	2
β-strand	962-966	5	1
β-strand	975-979	5	1
β-strand	985	1	2
α-helix	986-989	4
α-helix	997-1016	20
β-strand	1019-1020	2	3
α-helix	1026-1028	3
β-strand	1029-1033	5	2
β-strand	1036-1039	4	2
β-strand	1046-1047	2	3
β-strand	1054-1056	3	4
α-helix	1065-1067	3
α-helix	1070-1075	6
β-strand	1077-1079	3	4
α-helix	1080-1095	16
α-helix	1100-1102	3
α-helix	1104-1112	9
α-helix	1117-1119	3
α-helix	1120-1129	10
α-helix	1134-1137	4
α-helix	1142-1151	10
α-helix	1156-1158	3
α-helix	1160-1161	2
α-helix	1162-1176	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Non-receptor tyrosine-protein kinase TYK2	A	protein	289	Homo sapiens	P29597 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7UYU_1 Non-receptor tyrosine-protein kinase TYK2 (chains A)
PTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEI
DILRTLYHEHIIKYKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQIC
EGMAYLHAQHYIHRDLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWY
APECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELL
ERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYQ

Ligands and cofactors

ID	Name	Formula	Copies
OV0	2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]p…	C24 H18 F2 N4 O2	1

Water and common crystallization additives (SO4) are not listed.

Primary citation

Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Leit, S., Greenwood, J.R., Mondal, S. et al. Bioorg Med Chem Lett (2022) 73:128891-128891. DOI 10.1016/j.bmcl.2022.128891 · 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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