5C03: Kinase

Crystal Structure of kinase. Determined by X-ray diffraction at 1.9 Å resolution. Released 16 Sept 2015.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,568
Mol. weight: 78.88 kDa
Ligands: AGS, MG
Released: 16 Sept 2015

Explore 5C03 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5C03 contains 37 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: 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

Chain B: 20 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	582	1
β-strand	583-584	2	3
α-helix	585	1
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
α-helix	689-690	2
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	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	859-868	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Non-receptor tyrosine-protein kinase TYK2	A, B	protein	342	Homo sapiens	P29597 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5C03_1 Non-receptor tyrosine-protein kinase TYK2 (chains A, B)
MSYYHHHHHHDYDIPTTENLYFQGAMGETSNLIIMRGARASPRTLNLSQLSFHRVDQKEI
TQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHH
DIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMA
WKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSR
EERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQR
QHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTRLQP

Ligands and cofactors

ID	Name	Formula	Copies
AGS	Phosphothiophosphoric acid-adenylate ester	C10 H16 N5 O12 P3 S	2
MG	Magnesium ion	Mg	2

Water and common crystallization additives (GOL, EDO) are not listed.

Primary citation

Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2). Min, X., Ungureanu, D., Maxwell, S. et al. J Biol Chem (2015) 290:27261-27270. DOI 10.1074/jbc.M115.672048 · 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
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
4GIH 2.0 Å, Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BEN…

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