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9tcb

Catalytic domain of human PARP15 in complex with BAD

Method: X-RAY DIFFRACTION D_max: 76.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9tcb
deposition_date	2025-11-21
last_revision	2026-01-28
title	Catalytic domain of human PARP15 in complex with BAD
keywords	ADP-ribosylation, ADP-ribosyltransferase, ARTD, PARP, TRANSFERASE; TRANSFERASE
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	23.24 Å
rg_electron	22.22 Å
i0	35958100.00
molecular_weight	45194.0 kDa
excluded_volume	56104 Å³
envelope_volume	66474 Å³
shell_volume	25099 Å³
envelope_diameter	76.0 Å
shell_rg	29.20 Å
envelope_rg	22.36 Å
shape_rg	22.19 Å
total_rg	23.16 Å
total_atoms	3188
n_residues	394
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	76.1 Å
rg_real	23.22 Å
rg_real_error	0.47 Å
i0_real	3.5960e+07
i0_real_error	4.5750e+05
rg_reciprocal	23.23 Å
i0_reciprocal	35960000.0000
total_estimate	0.8842
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.9 Å
skewness	0.389
kurtosis	-0.168
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	7165000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.842; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.965

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4. Crystallography & Experiment

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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	3515

SMNLPEHWTDMNHQLFCMVQLEPGQSEYNTIKDKFTRTCSSYAIEKIERIQNAFLWQSYQVKKRQMDIKNDHKNNERLLFHGTDADSVPYVNQHGFNRSCAGKNAVSYGKGTYFAVDASYSAKDTYSKPDSNGRKHMYVVRVLTGVFTKGRAGLVTPPPKNPHNPTDLFDSVTNNTRSPKLFVVFFDNQAYPEYLITFTA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	;[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) ;
formula_weight	662.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	NICOTINAMIDE
formula_weight	122.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	282

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6. Citations (1)

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length_a	45.150 Å
length_b	68.510 Å
length_c	159.610 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	1.900 Å
resolution_low	43.483 Å
r_factor	—
r_work	0.1819
r_free	0.2197

fit	/app/data/saxs_computation/tc/9tcb/9tcb.fit
pddf	/app/data/pr_computation/tc/9tcb/9tcb.pr.out
profile	/app/data/saxs_computation/tc/9tcb/9tcb.dat

Catalytic domain of human PARP15 in complex with BAD

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