6AAM: TYK2

Crystal structure of TYK2 in complex with peficitinib. Determined by X-ray diffraction at 1.98 Å resolution. Released 15 Aug 2018.

Method: X-ray diffraction
Resolution: 1.98 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,241
Mol. weight: 34.34 kDa
Ligands: 9T6
Released: 15 Aug 2018

Explore 6AAM in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6AAM contains 19 α-helices and 12 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, 12 β-strands

Element	Residues	Length	Sheet
β-strand	891	1	1
α-helix	894-896	3
β-strand	897-902	6	1
β-strand	910-916	7	1
β-strand	925-931	7	1
α-helix	940-953	14
β-strand	959	1	2
α-helix	960-961	2
β-strand	962-968	7	1
α-helix	969-971	3
β-strand	973-979	7	1
β-strand	985	1	2
α-helix	986-989	4
α-helix	990-992	3
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
α-helix	1065-1067	3
α-helix	1070-1075	6
α-helix	1080-1095	16
α-helix	1100-1102	3
α-helix	1104-1112	9
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	1162-1177	16

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Non-receptor tyrosine-protein kinase TYK2	A	protein	298	Homo sapiens	P29597 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6AAM_1 Non-receptor tyrosine-protein kinase TYK2 (chains A)
GPGDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADAGPQHRSGW
KQEIDILRTLYHEHIIKYKGCCEDAGAASLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFA
QQICEGMAYLHAQHYIHRNLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSP
VFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGLAQGQMTVLRL
TELLERGERLPRPDKCPAEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYQGQAPS

Ligands and cofactors

ID	Name	Formula	Copies
9T6	4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxami…	C18 H22 N4 O2	1

Primary citation

Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor. Hamaguchi, H., Amano, Y., Moritomo, A. et al. Bioorg Med Chem (2018) 26:4971-4983. DOI 10.1016/j.bmc.2018.08.005 · 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
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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