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9pqe

Fem-1 homolog B (FEM1B) in complex with VU0412674

Method: X-RAY DIFFRACTION D_max: 116.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9pqe
deposition_date	2025-07-22
last_revision	2025-11-26
title	Fem-1 homolog B (FEM1B) in complex with VU0412674
keywords	FEM1B, E3 ligase, ligand, LIGASE; LIGASE
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	32.54 Å
rg_electron	32.62 Å
i0	167845000.00
molecular_weight	68287.0 kDa
excluded_volume	65428 Å³
envelope_volume	118240 Å³
shell_volume	31977 Å³
envelope_diameter	121.5 Å
shell_rg	37.24 Å
envelope_rg	32.59 Å
shape_rg	32.64 Å
total_rg	32.84 Å
total_atoms	5172
n_residues	669
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	116.2 Å
rg_real	32.81 Å
rg_real_error	1.42 Å
i0_real	1.6780e+08
i0_real_error	2.8560e+06
rg_reciprocal	32.70 Å
i0_reciprocal	167800000.0000
total_estimate	0.8458
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	35.6 Å
skewness	0.492
kurtosis	-0.244
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	17980000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.754; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.749; Smooth: 0.982

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Protein fem-1 homolog B
formula_weight	39295.8 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5176

GHMEGLAGYVYKAASEGKVLTLAALLLNRSESDIRYLLGYVSQQGGQRSTPLIIAARNGHAKVVRLLLEHYRVQTQQTGTVRFDGYVIDGATALWCAAGAGHFEVVKLLVSHGANVNHTTVTNSTPLRAACFDGRLDIVKYLVENNANISIANKYDNTCLMIAAYKGHTDVVRYLLEQRADPNAKAHCGATALHFAAEAGHIDIVKELIKWRAAIVVNGHGMTPLKVAAESCKADVVELLLSHADCDRRSRIEALELLGASFANDRENYDIIKTYHYLYLAMLERFQDGDNILEKEVLPPIHAYGNRTECRNPQELESIRQDRDALHMEGLIVRERILGGGGSGGGSKKRLLLGLDR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	N-[4-(propan-2-yl)phenyl]pyrazine-2-carboxamide
formula_weight	241.3 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	4

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6. Citations (1)

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length_a	130.015 Å
length_b	130.015 Å
length_c	140.431 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 4 21 2
int_tables_number	90
crystal_system	tetragonal

resolution	3.100 Å
resolution_low	47.700 Å
r_factor	0.2640
r_work	0.2604
r_free	0.3259

fit	/app/data/saxs_computation/pq/9pqe/9pqe.fit
pddf	/app/data/pr_computation/pq/9pqe/9pqe.pr.out
profile	/app/data/saxs_computation/pq/9pqe/9pqe.dat

Fem-1 homolog B (FEM1B) in complex with VU0412674

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