;Locally-refined Mu-Opioid Receptor bound with novel compound 0505 (3-[({[(1P)-1-(3-chlorophenyl)-1H-pyrazol-3-yl]methyl}amino)methyl]phenol) ;

Method: ELECTRON MICROSCOPY D_max: 75.4 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ppq
deposition_date	2025-07-21
title	;Locally-refined Mu-Opioid Receptor bound with novel compound 0505 (3-[({[(1P)-1-(3-chlorophenyl)-1H-pyrazol-3-yl]methyl}amino)methyl]phenol) ;
keywords	GPCR, Mu-Opioid, Partial Agonist, Active, MEMBRANE PROTEIN; MEMBRANE PROTEIN
method	ELECTRON MICROSCOPY

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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	21.75 Å
rg_electron	20.78 Å
i0	15172200.00
molecular_weight	32435.0 kDa
excluded_volume	41933 Å³
envelope_volume	49437 Å³
shell_volume	20351 Å³
envelope_diameter	76.2 Å
shell_rg	26.95 Å
envelope_rg	21.27 Å
shape_rg	20.84 Å
total_rg	21.50 Å
total_atoms	4617
n_residues	286
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	75.4 Å
rg_real	21.81 Å
rg_real_error	0.53 Å
i0_real	1.5170e+07
i0_real_error	2.0430e+05
rg_reciprocal	21.80 Å
i0_reciprocal	15170000.0000
total_estimate	0.6734
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	23.6 Å
skewness	0.433
kurtosis	-0.225
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	2087000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.736; Stabil: 1.000; Sysdev: 0.207; Positv: 1.000; Valcen: 0.925; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	3.34 Å
resolution_method	—
num_particles	52988

description	Mu-type opioid receptor
formula_weight	38145.0 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	R
atom_count	4617

;Locally-refined Mu-Opioid Receptor bound with novel compound 0505 (3-[({[(1P)-1-(3-chlorophenyl)-1H-pyrazol-3-yl]methyl}amino)methyl]phenol) ;

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

EM 3D

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Homo sapiens

description	3-[({[(1P)-1-(3-chlorophenyl)-1H-pyrazol-3-yl]methyl}amino)methyl]phenol
formula_weight	313.8 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/pp/9ppq/9ppq.fit
pddf	/app/data/pr_computation/pp/9ppq/9ppq.pr.out
profile	/app/data/saxs_computation/pp/9ppq/9ppq.dat