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10pj

JAK2 kinase (JH1 domain) in complex with povorcitinib

Method: X-RAY DIFFRACTION D_max: 94.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	10pj
deposition_date	2026-01-30
last_revision	2026-06-10
title	JAK2 kinase (JH1 domain) in complex with povorcitinib
keywords	Inhibitor, Kinase, Complex, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	29.75 Å
rg_electron	29.01 Å
i0	160453000.00
molecular_weight	66772.0 kDa
excluded_volume	64289 Å³
envelope_volume	117830 Å³
shell_volume	33547 Å³
envelope_diameter	94.6 Å
shell_rg	36.68 Å
envelope_rg	28.88 Å
shape_rg	28.96 Å
total_rg	29.63 Å
total_atoms	5043
n_residues	596
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	94.6 Å
rg_real	29.73 Å
rg_real_error	0.48 Å
i0_real	1.6050e+08
i0_real_error	2.4800e+06
rg_reciprocal	29.74 Å
i0_reciprocal	160500000.0000
total_estimate	0.9031
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	30.3 Å
skewness	0.262
kurtosis	-0.624
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0005
highest_alpha	38880000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.938; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.939

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Tyrosine-protein kinase JAK2
formula_weight	37268.3 kDa
ec_number	2.7.10.2
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5949

MHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	MALONIC ACID
formula_weight	104.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	;4-{3-(cyanomethyl)-3-[(4M)-3',5'-dimethyl-1H,1'H-[4,4'-bipyrazol]-1-yl]azetidin-1-yl}-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide ;
formula_weight	507.5 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	676

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6. Citations (1)

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length_a	99.610 Å
length_b	69.132 Å
length_c	110.326 Å
angle_alpha	90.00 °
angle_beta	99.52 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	1.590 Å
resolution_low	33.780 Å
r_factor	0.2022
r_work	0.2006
r_free	0.2307

fit	/app/data/saxs_computation/0p/10pj/10pj.fit
pddf	/app/data/pr_computation/0p/10pj/10pj.pr.out
profile	/app/data/saxs_computation/0p/10pj/10pj.dat

JAK2 kinase (JH1 domain) in complex with povorcitinib

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction