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9qc1

Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist cp28a

Method: X-RAY DIFFRACTION D_max: 118.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qc1
deposition_date	2025-03-04
last_revision	2026-02-11
title	Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist cp28a
keywords	G protein-coupled receptor, neurotensin receptor, full agonist, small-molecule complex, MEMBRANE PROTEIN; MEMBRANE PROTEIN
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	32.48 Å
rg_electron	32.78 Å
i0	31397500.00
molecular_weight	45109.0 kDa
excluded_volume	56845 Å³
envelope_volume	73822 Å³
shell_volume	22200 Å³
envelope_diameter	124.0 Å
shell_rg	33.53 Å
envelope_rg	33.13 Å
shape_rg	32.58 Å
total_rg	33.51 Å
total_atoms	6263
n_residues	455
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	118.2 Å
rg_real	33.27 Å
rg_real_error	1.84 Å
i0_real	3.1400e+07
i0_real_error	5.9210e+05
rg_reciprocal	32.94 Å
i0_reciprocal	31390000.0000
total_estimate	0.6927
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	21.7 Å
skewness	0.645
kurtosis	-0.392
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	5622000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.308; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.117; Smooth: 0.963

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	Neurotensin receptor type 1, DARPin fusion
formula_weight	54999.3 kDa
mutation	;S83G,A86L,T101R,H103D,H105Y,L119F,M121L,E124D,R143K,D150E,A161V,R167L,R213L,V234L,K235R,V240L,I253A,I260A,N262R,K263R,H305R,C332V,F342A,T354S,F358V,S362A ;
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6263

GPGSGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNGVTLFTLARKKSLQSLQSRVDYYLGSLALSDLLILLFALPVDLYNFIWVHHPWAFGDAGCKGYYFLREACTYATALNVVSLSVELYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNLSGDGTHPGGLVCTPIVDTATLRVVIQLNTFMSFLFPMLVASILNTVAARRLTVMVHQAAEQGRVCTVGTHNGLEHSTFNMTIEPGRVQALRRGVLVLRAVVIAFVVCWLPYHVRRLMFVYISDEQWTTALFDFYHYFYMLSNALVYVSAAINPILYNLAEDLVEDWEKARKLLEAARKGQDDEVRILLANGADVNTADETGFTPLHLAAWEGHLGIVEVLLKNGADVNANDERGHTPLHLAAYTGHLEIVEVLLKNGAGVNATDVIGTAPLHLAAMWGHLEIVEVLLKNGADVNAQDKFGKTPFDLAIDNGNEDIAEVLQKAATRELEVLFQ

Source

organism	Rattus norvegicus
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2~{S})-4-methyl-2-[[3-(5-methylthiophen-2-yl)-5-(5-thiophen-3-yl-1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]pentanoic acid
formula_weight	481.6 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	75.661 Å
length_b	215.887 Å
length_c	95.623 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	3.124 Å
resolution_low	107.900 Å
r_factor	—
r_work	0.3002
r_free	0.3220

fit	/app/data/saxs_computation/qc/9qc1/9qc1.fit
pddf	/app/data/pr_computation/qc/9qc1/9qc1.pr.out
profile	/app/data/saxs_computation/qc/9qc1/9qc1.dat

Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist cp28a

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

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)