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9zg4

5jc21/CG13250 bound to BRD4-BD1.

Method: X-RAY DIFFRACTION D_max: 74.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9zg4
deposition_date	2025-12-02
last_revision	2026-03-25
title	5jc21/CG13250 bound to BRD4-BD1.
keywords	Inhibitor BRD4 protein, NUCLEAR PROTEIN; NUCLEAR PROTEIN
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	22.46 Å
rg_electron	22.10 Å
i0	28789600.00
molecular_weight	28426.0 kDa
excluded_volume	27925 Å³
envelope_volume	46138 Å³
shell_volume	18332 Å³
envelope_diameter	75.8 Å
shell_rg	27.56 Å
envelope_rg	22.17 Å
shape_rg	22.10 Å
total_rg	22.64 Å
total_atoms	2157
n_residues	252
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	74.4 Å
rg_real	22.54 Å
rg_real_error	0.69 Å
i0_real	2.8790e+07
i0_real_error	4.3090e+05
rg_reciprocal	22.52 Å
i0_reciprocal	28790000.0000
total_estimate	0.8768
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.3 Å
skewness	0.406
kurtosis	-0.447
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	9481000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.850; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.898; Smooth: 0.954

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Bromodomain-containing protein 4
formula_weight	14841.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2624

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPT

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Bromodomain-containing protein 4
formula_weight	15099.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	(4P)-4-[4-(benzylamino)-2-oxo-1,2-dihydroquinolin-6-yl]-3,5-dimethyl-2H-1,2-oxazol-1-ium
formula_weight	346.4 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	314

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6. Citations (1)

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length_a	41.772 Å
length_b	59.480 Å
length_c	108.162 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

resolution	1.480 Å
resolution_low	40.010 Å
r_factor	0.1946
r_work	0.1929
r_free	0.2279

fit	/app/data/saxs_computation/zg/9zg4/9zg4.fit
pddf	/app/data/pr_computation/zg/9zg4/9zg4.pr.out
profile	/app/data/saxs_computation/zg/9zg4/9zg4.dat

5jc21/CG13250 bound to BRD4-BD1.

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 (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)