8BXH: JAK2 JH1

Crystal structure of JAK2 JH1 in complex with momelotinib. Determined by X-ray diffraction at 1.3 Å resolution. Released 20 Dec 2023.

Method: X-ray diffraction
Resolution: 1.3 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,880
Mol. weight: 37.78 kDa
Ligands: MLI, C87
Released: 20 Dec 2023

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

Secondary structure: helices and β-sheets

8BXH contains 20 α-helices and 13 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: 20 helices, 13 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
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

Molecules and chains

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

Sequence of entity 1 (A), FASTA

>8BXH_1 Tyrosine-protein kinase JAK2 (chains A)
MHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTG
EVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGS
LRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFG
LTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKS
PPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSF
RDLALRVDQIRDNMAG

Ligands and cofactors

ID	Name	Formula	Copies
MLI	Malonate ion	C3 H2 O4	1
C87	Momelotinib	C23 H22 N6 O2	1

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:

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
8BX9 1.4 Å, Crystal structure of JAK2 JH1 in complex with ilginatinib
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

About this viewer

MolViewer shows 8BXH directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.