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9put

HRAS complex with UM0152535 compound

Method: X-RAY DIFFRACTION D_max: 83.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9put
deposition_date	2025-07-31
title	HRAS complex with UM0152535 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	23.60 Å
rg_electron	22.92 Å
i0	37378000.00
molecular_weight	40167.0 kDa
excluded_volume	46385 Å³
envelope_volume	59685 Å³
shell_volume	22386 Å³
envelope_diameter	78.8 Å
shell_rg	29.19 Å
envelope_rg	23.02 Å
shape_rg	22.87 Å
total_rg	23.72 Å
total_atoms	4779
n_residues	339
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	83.5 Å
rg_real	23.66 Å
rg_real_error	0.79 Å
i0_real	3.7380e+07
i0_real_error	5.2440e+05
rg_reciprocal	23.65 Å
i0_reciprocal	37380000.0000
total_estimate	0.7567
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.1 Å
skewness	0.447
kurtosis	-0.304
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	9952000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.651; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.890; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GTPase HRas
formula_weight	18932.2 kDa
ec_number	3.6.5.2
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	4864

GMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH

Source

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

Entity 2 polymer

description	UM0152535
formula_weight	1583.9 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

IYWXWKWKPQX

Entity 3 non-polymer

description	GUANOSINE-5'-DIPHOSPHATE
formula_weight	443.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	85

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6. Citations (1)

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length_a	127.850 Å
length_b	36.940 Å
length_c	69.720 Å
angle_alpha	90.00 °
angle_beta	96.96 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	2.000 Å
resolution_low	35.470 Å
r_factor	0.2078
r_work	0.2064
r_free	0.2330

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

HRAS complex with UM0152535 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)