← Back to search

9q31

RIP1 kinase domain in complex with GDC-8264

Method: X-RAY DIFFRACTION D_max: 89.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9q31
deposition_date	2025-08-15
title	RIP1 kinase domain in complex with GDC-8264
keywords	kinase, inhibitor, TRANSFERASE, TRANSFERASE-Inhibitor complex; TRANSFERASE/Inhibitor
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	26.86 Å
rg_electron	26.02 Å
i0	114816000.00
molecular_weight	57295.0 kDa
excluded_volume	55853 Å³
envelope_volume	94843 Å³
shell_volume	30452 Å³
envelope_diameter	89.2 Å
shell_rg	33.29 Å
envelope_rg	26.17 Å
shape_rg	25.99 Å
total_rg	26.65 Å
total_atoms	4306
n_residues	528
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

▼

3. P(r) Analysis (GNOM)

dmax	89.2 Å
rg_real	26.78 Å
rg_real_error	0.68 Å
i0_real	1.1480e+08
i0_real_error	1.6630e+06
rg_reciprocal	26.80 Å
i0_reciprocal	114800000.0000
total_estimate	0.8164
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.3 Å
skewness	0.232
kurtosis	-0.463
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	20580000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.875; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (7)

Entity 1 polymer

description	Receptor-interacting serine/threonine-protein kinase 1
formula_weight	33612.9 kDa
ec_number	2.7.11.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4649

GSMQPDMSLNVIKMKSSDFLESAELDSGGFGKVSLAFHRTQGLMIMKTVYKGPNCIEHNEALLEEAKMMNRLRHSRVVKLLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMAYLHGKGVIHKDLKPENILVDNDFHIKIADLGLASFKMWSKLNNEEHNELREVDGTAKKNGGTLYYMAPEHLNDVNAKPTEKSDVYSFAVVLWAIFANKEPYENAIAEQQLIMAIKSGNRPDVDDITEYCPREIISLMKLCWEANPEARPTFPGIEEKFRPFYLSQLE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	cyclopropyl[(4R,5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
formula_weight	271.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	BROMIDE ION
formula_weight	79.9 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	3

Entity 5 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	9

Entity 6 non-polymer

description	PROPANE
formula_weight	44.1 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	281

▶

6. Citations (1)

▶

length_a	47.368 Å
length_b	96.318 Å
length_c	127.757 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.050 Å
resolution_low	38.950 Å
r_factor	0.1868
r_work	0.1842
r_free	0.2220

fit	/app/data/saxs_computation/q3/9q31/9q31.fit
pddf	/app/data/pr_computation/q3/9q31/9q31.pr.out
profile	/app/data/saxs_computation/q3/9q31/9q31.dat