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9pul

HRAS complex with UM0143525 compound

Method: X-RAY DIFFRACTION D_max: 102.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9pul
deposition_date	2025-07-31
title	HRAS complex with UM0143525 compound
keywords	GTPase, Inhibitor, Macrocycle, SIGNALING PROTEIN, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
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	30.68 Å
rg_electron	30.11 Å
i0	108301000.00
molecular_weight	79888.0 kDa
excluded_volume	99069 Å³
envelope_volume	128970 Å³
shell_volume	35643 Å³
envelope_diameter	108.5 Å
shell_rg	37.24 Å
envelope_rg	29.51 Å
shape_rg	30.11 Å
total_rg	30.76 Å
total_atoms	11020
n_residues	660
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	102.7 Å
rg_real	30.57 Å
rg_real_error	0.71 Å
i0_real	1.0830e+08
i0_real_error	1.7930e+06
rg_reciprocal	30.62 Å
i0_reciprocal	108300000.0000
total_estimate	0.8830
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	45.4 Å
skewness	0.159
kurtosis	-0.521
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	62980000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.838; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GTPase HRas
formula_weight	19017.3 kDa
ec_number	3.6.5.2
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	11111

AAMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH

Source

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

Entity 2 polymer

description	UM0143525
formula_weight	1546.3 kDa
src_method	syn
entity_count	4

Polymer

type	polypeptide(L)
strand_id	E,F,G,H

IYWAWKWKPEX

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	GUANOSINE-5'-DIPHOSPHATE
formula_weight	443.2 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	79

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6. Citations (1)

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length_a	127.780 Å
length_b	37.530 Å
length_c	143.120 Å
angle_alpha	90.00 °
angle_beta	95.80 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	2.500 Å
resolution_low	36.310 Å
r_factor	0.2172
r_work	0.2145
r_free	0.2673

fit	/app/data/saxs_computation/pu/9pul/9pul.fit
pddf	/app/data/pr_computation/pu/9pul/9pul.pr.out
profile	/app/data/saxs_computation/pu/9pul/9pul.dat

HRAS complex with UM0143525 compound

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)