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9sdi

FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-(1H-Pyrazol-4-yl)-nicotinic acid

Method: X-RAY DIFFRACTION D_max: 88.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sdi
deposition_date	2025-08-14
title	FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-(1H-Pyrazol-4-yl)-nicotinic acid
keywords	PROTEIN TYROSINE KINASE, TRANSFERASE, ATP BINDING; 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	27.67 Å
rg_electron	27.07 Å
i0	110814000.00
molecular_weight	55108.0 kDa
excluded_volume	53102 Å³
envelope_volume	93012 Å³
shell_volume	28901 Å³
envelope_diameter	94.7 Å
shell_rg	33.87 Å
envelope_rg	27.22 Å
shape_rg	27.06 Å
total_rg	27.61 Å
total_atoms	4154
n_residues	511
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	88.5 Å
rg_real	27.69 Å
rg_real_error	0.62 Å
i0_real	1.1080e+08
i0_real_error	1.8020e+06
rg_reciprocal	27.68 Å
i0_reciprocal	110800000.0000
total_estimate	0.8932
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	86.9 Å
skewness	0.330
kurtosis	-0.408
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	20220000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.934; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.822

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Focal adhesion kinase 1
formula_weight	31813.8 kDa
ec_number	2.7.10.2
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4216

PSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQ

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Trichoplusia ni

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	6

Entity 3 non-polymer

description	6-(1~{H}-pyrazol-4-yl)pyridine-3-carboxylic acid
formula_weight	189.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	62

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6. Citations (1)

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length_a	45.431 Å
length_b	50.336 Å
length_c	66.634 Å
angle_alpha	98.99 °
angle_beta	101.28 °
angle_gamma	95.12 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	2.530 Å
resolution_low	25.480 Å
r_factor	0.1843
r_work	0.1812
r_free	0.2409

fit	/app/data/saxs_computation/sd/9sdi/9sdi.fit
pddf	/app/data/pr_computation/sd/9sdi/9sdi.pr.out
profile	/app/data/saxs_computation/sd/9sdi/9sdi.dat

FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-(1H-Pyrazol-4-yl)-nicotinic acid

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