8BX9: JAK2 JH1

Crystal structure of JAK2 JH1 in complex with ilginatinib. Determined by X-ray diffraction at 1.4 Å resolution. Released 20 Dec 2023.

Method: X-ray diffraction
Resolution: 1.4 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,580
Mol. weight: 75.47 kDa
Ligands: S59
Released: 20 Dec 2023

Explore 8BX9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8BX9 contains 40 α-helices and 28 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: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	836-838	3
α-helix	846-848	3
β-strand	849-857	9	1
β-strand	861-868	8	1
β-strand	877-884	8	1
α-helix	889-903	15
β-strand	910	1	2
α-helix	911-912	2
β-strand	913-917	5	1
α-helix	919-922	4
β-strand	926-930	5	1
β-strand	936	1	2
α-helix	937-943	7
α-helix	945-947	3
α-helix	950-969	20
β-strand	972-973	2	3
α-helix	979-981	3
β-strand	982-986	5	2
β-strand	989-992	4	2
β-strand	999-1000	2	3
α-helix	1001-1002	2
β-strand	1008-1009	2	4
β-strand	1016	1	5
α-helix	1018-1020	3
α-helix	1023-1028	6
β-strand	1030-1031	2	4
α-helix	1033-1049	17
α-helix	1057-1065	9
α-helix	1072-1083	12
α-helix	1088-1091	4
α-helix	1096-1105	10
α-helix	1110-1112	3
α-helix	1114-1115	2
α-helix	1116-1129	14

Chain B: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	836	1	5
α-helix	837-838	2
α-helix	846-848	3
β-strand	849-857	9	6
β-strand	861-868	8	6
β-strand	877-884	8	6
α-helix	889-903	15
β-strand	910	1	7
α-helix	911-912	2
β-strand	913-917	5	6
α-helix	919-922	4
β-strand	926-930	5	6
β-strand	936	1	7
α-helix	937-943	7
α-helix	945-947	3
α-helix	950-969	20
β-strand	972-973	2	8
α-helix	979-981	3
β-strand	982-986	5	7
β-strand	989-992	4	7
β-strand	999-1000	2	8
α-helix	1001-1002	2
β-strand	1008-1009	2	9
α-helix	1018-1020	3
α-helix	1023-1028	6
β-strand	1030-1031	2	9
α-helix	1033-1049	17
α-helix	1057-1065	9
α-helix	1072-1083	12
α-helix	1088-1091	4
α-helix	1096-1105	10
α-helix	1110-1112	3
α-helix	1114-1115	2
α-helix	1116-1129	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tyrosine-protein kinase JAK2	A, B	protein	316	Homo sapiens	O60674 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8BX9_1 Tyrosine-protein kinase JAK2 (chains A, B)
MHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTG
EVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGS
LRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFG
LTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKS
PPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSF
RDLALRVDQIRDNMAG

Ligands and cofactors

ID	Name	Formula	Copies
S59	Ilginatinib	C21 H20 F N7	2

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

Primary citation

Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. Miao, Y., Virtanen, A., Zmajkovic, J. et al. J Med Chem (2024) 67:10012-10024. DOI 10.1021/acs.jmedchem.4c00197 · PubMed

Other PDB entries of the same protein (UniProt O60674 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8BXH 1.3 Å, Crystal structure of JAK2 JH1 in complex with momelotinib
7LL4 1.31 Å, High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-114.
3UGC 1.34 Å, Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594
7REE 1.38 Å, High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059
8BA3 1.4 Å, Crystal structure of JAK2 JH2 in complex with Bemcentinib
7TEU 1.45 Å, Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1
9TM5 1.45 Å, Crystal structure of JAK2 JH1 in complex with AT9283
4IVA 1.5 Å, JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYET…
7LL5 1.5 Å, High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150.
7RN6 1.5 Å, High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II…
8B8U 1.5 Å, Crystal structure of JAK2 JH2-V617F in complex with HTS-A3
8B9E 1.5 Å, Crystal structure of JAK2 JH2-V617F in complex with Z902-A3

Browse structure collections

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