SAXSdb — 9xz1

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1. Structure Basics

entry_id	9xz1
deposition_date	2025-08-26
last_revision	2025-10-15
title	KRAS(G12C)-RNK07311-HSP90(N-terminus)
keywords	KRAS HSP90 Heterobifunctional Inhibitor, CHAPERONE, CHAPERONE-ONCOPROTEIN complex; CHAPERONE/ONCOPROTEIN
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	24.05 Å
rg_electron	23.38 Å
i0	65970100.00
molecular_weight	42100.0 kDa
excluded_volume	40527 Å³
envelope_volume	68928 Å³
shell_volume	24932 Å³
envelope_diameter	96.8 Å
shell_rg	29.84 Å
envelope_rg	23.98 Å
shape_rg	23.36 Å
total_rg	23.99 Å
total_atoms	3180
n_residues	386
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	90.9 Å
rg_real	24.11 Å
rg_real_error	0.75 Å
i0_real	6.5970e+07
i0_real_error	1.0450e+06
rg_reciprocal	24.09 Å
i0_reciprocal	65970000.0000
total_estimate	0.6020
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.0 Å
skewness	0.482
kurtosis	-0.030
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	9628000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.582; Stabil: 1.000; Sysdev: 0.101; Positv: 1.000; Valcen: 0.793; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	Heat shock protein HSP 90-alpha
formula_weight	26601.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3293

MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	;Escherichia coli 'BL21-Gold(DE3)pLysS AG' ;

Entity 2 polymer

description	GTPase KRas
formula_weight	19352.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

GMTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	;Escherichia coli 'BL21-Gold(DE3)pLysS AG' ;

Entity 3 non-polymer

description	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	209.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	GUANOSINE-5'-DIPHOSPHATE
formula_weight	443.2 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	;(5M)-4-{4-[(4-{4-[2-({7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-propanoylpiperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl}oxy)ethyl]piperazine-1-carbonyl}piperidin-1-yl)methyl]phenyl}-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4H-1,2,4-triazole-3-carboxamide ;
formula_weight	1064.7 kDa
src_method	syn
entity_count	1

Entity 7 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	113

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6. Citations (1)

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length_a	103.575 Å
length_b	42.537 Å
length_c	95.283 Å
angle_alpha	90.00 °
angle_beta	110.58 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.960 Å
resolution_low	48.530 Å
r_factor	0.1918
r_work	0.1890
r_free	0.2491

fit	/app/data/saxs_computation/xz/9xz1/9xz1.fit
pddf	/app/data/pr_computation/xz/9xz1/9xz1.pr.out
profile	/app/data/saxs_computation/xz/9xz1/9xz1.dat

KRAS(G12C)-RNK07311-HSP90(N-terminus)

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

5. Entities & Polymer Info (8)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 non-polymer

Entity 8 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)