← Back to search

9qnv

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2

Method: X-RAY DIFFRACTION D_max: 53.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9qnv
deposition_date	2025-03-25
last_revision	2025-05-14
title	CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2
keywords	;BROMODOMAIN-CONTAINING PROTEIN 4 ISOFORM LONG, BRD4, BROMODOMAIN-CONTAINING PROTEIN 4, CAP, HUNK1, MCAP, MITOTIC CHROMOSOME ASSOCIATED PROTEIN, CELL CYCLE, Structural Genomics, Structural Genomics Consortium, SGC ;; CELL CYCLE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	15.94 Å
rg_electron	15.01 Å
i0	8121570.00
molecular_weight	14444.0 kDa
excluded_volume	14181 Å³
envelope_volume	21904 Å³
shell_volume	12599 Å³
envelope_diameter	53.5 Å
shell_rg	20.44 Å
envelope_rg	15.44 Å
shape_rg	14.99 Å
total_rg	15.86 Å
total_atoms	1091
n_residues	127
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	53.4 Å
rg_real	15.91 Å
rg_real_error	0.36 Å
i0_real	8.1220e+06
i0_real_error	8.5500e+04
rg_reciprocal	15.91 Å
i0_reciprocal	8122000.0000
total_estimate	0.6554
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	18.3 Å
skewness	0.312
kurtosis	-0.313
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1769000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.813; Stabil: 0.997; Sysdev: 0.368; Positv: 1.000; Valcen: 0.981; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

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

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1339

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
formula_weight	215.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	216

▶

6. Citations (1)

▶

length_a	37.263 Å
length_b	43.862 Å
length_c	77.890 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	—

resolution	1.226 Å
resolution_low	38.945 Å
r_factor	—
r_work	0.1172
r_free	0.1482

fit	/app/data/saxs_computation/qn/9qnv/9qnv.fit
pddf	/app/data/pr_computation/qn/9qnv/9qnv.pr.out
profile	/app/data/saxs_computation/qn/9qnv/9qnv.dat