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9um2

Pterocarpan Reductase GuPTR1 from Glycyrrhiza uralensis

Method: X-RAY DIFFRACTION D_max: 64.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9um2
deposition_date	2025-04-21
last_revision	2026-04-29
title	Pterocarpan Reductase GuPTR1 from Glycyrrhiza uralensis
keywords	Pterocarpan Reductase, OXIDOREDUCTASE; OXIDOREDUCTASE
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	20.21 Å
rg_electron	19.39 Å
i0	40845000.00
molecular_weight	33343.0 kDa
excluded_volume	32316 Å³
envelope_volume	50324 Å³
shell_volume	21417 Å³
envelope_diameter	64.8 Å
shell_rg	26.01 Å
envelope_rg	19.55 Å
shape_rg	19.38 Å
total_rg	20.04 Å
total_atoms	2532
n_residues	318
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	64.5 Å
rg_real	20.12 Å
rg_real_error	0.28 Å
i0_real	4.0850e+07
i0_real_error	5.1400e+05
rg_reciprocal	20.14 Å
i0_reciprocal	40850000.0000
total_estimate	0.8963
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	23.9 Å
skewness	0.225
kurtosis	-0.422
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0001
highest_alpha	7745000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	GuPTR1
formula_weight	36564.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2700

MDSAAASKILVIGGTGYMGRFLVEASAKAGHPTFALVRHSTVTNPDKSSIIHSFNTLGVNLLLGDINDHQSLVKAIKQADVVISTVNHQYISDQYKIISAIKEAGNIKRFFPSEFGIDVDRTHGVDGAKALFDIKAKFRRTIEAEGIPHTYVVANFLTQHFLPTRSRLLAIAAPLDKVVILGDGNMKATFNTEEGVATFTIRAVDDPRTLNKILYIRPPANTLSYNDLVSLWEKKTGNTLERVYVPEEQVLRLIQESSYPINMALSICHAAYVKGDNTNFEIEPSFGVEASELYPDVKFTTVVEYLEQNRDCTPFYLNQFISITNGTKF

Source

organism	Glycyrrhiza uralensis
ncbi_taxonomy_id	74613
host_organism	Escherichia coli

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	(6~{a}~{R},11~{a}~{R})-9-methoxy-6~{a},11~{a}-dihydro-6~{H}-[1]benzofuro[3,2-c]chromen-3-ol
formula_weight	270.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	168

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6. Citations (1)

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length_a	82.560 Å
length_b	108.790 Å
length_c	77.310 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.100 Å
resolution_low	38.655 Å
r_factor	0.1853
r_work	0.1817
r_free	0.2188

fit	/app/data/saxs_computation/um/9um2/9um2.fit
pddf	/app/data/pr_computation/um/9um2/9um2.pr.out
profile	/app/data/saxs_computation/um/9um2/9um2.dat

Pterocarpan Reductase GuPTR1 from Glycyrrhiza uralensis

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