← Back to search

9rlq

PARP15 catalytic domain in complex with OUL312

Method: X-RAY DIFFRACTION D_max: 76.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9rlq
deposition_date	2025-06-17
last_revision	2025-09-17
title	PARP15 catalytic domain in complex with OUL312
keywords	Inhibitor, Complex, ADP-ribosyltransferase, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	23.47 Å
rg_electron	22.31 Å
i0	35729200.00
molecular_weight	45448.0 kDa
excluded_volume	56591 Å³
envelope_volume	67567 Å³
shell_volume	25361 Å³
envelope_diameter	76.6 Å
shell_rg	29.42 Å
envelope_rg	22.47 Å
shape_rg	22.29 Å
total_rg	23.25 Å
total_atoms	6282
n_residues	392
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	76.3 Å
rg_real	23.44 Å
rg_real_error	0.47 Å
i0_real	3.5730e+07
i0_real_error	4.7160e+05
rg_reciprocal	23.45 Å
i0_reciprocal	35730000.0000
total_estimate	0.8862
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.0 Å
skewness	0.367
kurtosis	-0.201
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	7781000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.855; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.952

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Protein mono-ADP-ribosyltransferase PARP15
formula_weight	22967.8 kDa
ec_number	2.4.2.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6577

SMNLPEHWTDMNHQLFCMVQLEPGQSEYNTIKDKFTRTCSSYAIEKIERIQNAFLWQSYQVKKRQMDIKNDHKNNERLLFHGTDADSVPYVNQHGFNRSCAGKNAVSYGKGTYFAVDASYSAKDTYSKPDSNGRKHMYVVRVLTGVFTKGRAGLVTPPPKNPHNPTDLFDSVTNNTRSPKLFVVFFDNQAYPEYLITFTA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione
formula_weight	300.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	247

▶

6. Citations (1)

▶

length_a	45.020 Å
length_b	67.980 Å
length_c	155.090 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	orthorhombic

resolution	1.800 Å
resolution_low	77.550 Å
r_factor	0.2267
r_work	0.2242
r_free	0.2803

fit	/app/data/saxs_computation/rl/9rlq/9rlq.fit
pddf	/app/data/pr_computation/rl/9rlq/9rlq.pr.out
profile	/app/data/saxs_computation/rl/9rlq/9rlq.dat

PARP15 catalytic domain in complex with OUL312

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