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9z2f

Mitochondrial Creatine Kinase in complex with ADP and uncompetitive inhibitor uci

Method: ELECTRON MICROSCOPY D_max: 150.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9z2f
deposition_date	2025-11-05
title	Mitochondrial Creatine Kinase in complex with ADP and uncompetitive inhibitor uci
keywords	Kinase, inhibitor, TRANSFERASE-INHIBITOR complex; TRANSFERASE/INHIBITOR
method	ELECTRON MICROSCOPY

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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	48.07 Å
rg_electron	47.40 Å
i0	1638040000.00
molecular_weight	321730.0 kDa
excluded_volume	394940 Å³
envelope_volume	529640 Å³
shell_volume	88930 Å³
envelope_diameter	162.0 Å
shell_rg	55.60 Å
envelope_rg	46.50 Å
shape_rg	47.23 Å
total_rg	48.19 Å
total_atoms	43840
n_residues	2944
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	150.2 Å
rg_real	47.74 Å
rg_real_error	0.91 Å
i0_real	1.6380e+09
i0_real_error	2.4860e+07
rg_reciprocal	48.07 Å
i0_reciprocal	1639000000.0000
total_estimate	0.8912
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	63.7 Å
skewness	0.064
kurtosis	-0.505
angular_range	— – 0.1650 Å⁻¹
current_alpha	0.0000
highest_alpha	173700000.0000
n_real_points	34
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.899; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.909

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Creatine kinase U-type, mitochondrial
formula_weight	47598.7 kDa
ec_number	2.7.3.2
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	44256

MGSSHHHHHHSSGLVPRGSHMENLYFQGAASERRRLYPPSAEYPDLRKHNNCMASHLTPAVYARLCDKTTPTGWTLDQCIQTGVDNPGHPFIKTVGMVAGDEETYEVFADLFDPVIQERHNGYDPRTMKHTTDLDASKIRSGYFDERYVLSSRVRTGRSIRGLSLPPACTRAERREVERVVVDALSGLKGDLAGRYYRLSEMTEAEQQQLIDDHFLFDKPVSPLLTAAGMARDWPDARGIWHNNEKSFLIWVNEEDHTRVISMEKGGNMKRVFERFCRGLKEVERLIQERGWEFMWNERLGYILTCPSNLGTGLRAGVHIKLPLLSKDSRFPKILENLRLQKRGTGGVDTAATGGVFDISNLDRLGKSEVELVQLVIDGVNYLIDCERRLERGQDIRIPTPVIHTKHGSSDYKDDDDK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl](3,5,7-trimethyl-1H-indol-2-yl)methanone
formula_weight	378.5 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	8

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.590 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	2.59 Å
resolution_method	—
num_particles	1213097

fit	/app/data/saxs_computation/z2/9z2f/9z2f.fit
pddf	/app/data/pr_computation/z2/9z2f/9z2f.pr.out
profile	/app/data/saxs_computation/z2/9z2f/9z2f.dat

Mitochondrial Creatine Kinase in complex with ADP and uncompetitive inhibitor uci

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

EM 3D