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9qd4

Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist cp30a

Method: X-RAY DIFFRACTION D_max: 120.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qd4
deposition_date	2025-03-06
last_revision	2026-02-11
title	Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist cp30a
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	32.21 Å
rg_electron	32.67 Å
i0	32407200.00
molecular_weight	47185.0 kDa
excluded_volume	60097 Å³
envelope_volume	76436 Å³
shell_volume	22862 Å³
envelope_diameter	123.8 Å
shell_rg	33.57 Å
envelope_rg	33.04 Å
shape_rg	32.54 Å
total_rg	33.18 Å
total_atoms	6661
n_residues	460
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	120.0 Å
rg_real	32.96 Å
rg_real_error	1.49 Å
i0_real	3.2410e+07
i0_real_error	5.7630e+05
rg_reciprocal	32.64 Å
i0_reciprocal	32400000.0000
total_estimate	0.6941
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	24.5 Å
skewness	0.671
kurtosis	-0.287
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	6663000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.325; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.134; Smooth: 0.911

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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	6661

GPGSGPNSDLDVNTDIYSKVLVTAIYLALFVVGTVGNGVTLFTLARKKSLQSLQSRVDYYLGSLALSDLLILLFALPVDLYNFIWVHHPWAFGDAGCKGYYFLREACTYATALNVVSLSVELYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNLSGDGTHPGGLVCTPIVDTATLRVVIQLNTFMSFLFPMLVASILNTVAARRLTVMVHQAAEQGRVCTVGTHNGLEHSTFNMTIEPGRVQALRRGVLVLRAVVIAFVVCWLPYHVRRLMFVYISDEQWTTALFDFYHYFYMLSNALVYVSAAINPILYNLAEDLVEDWEKARKLLEAARKGQDDEVRILLANGADVNTADETGFTPLHLAAWEGHLGIVEVLLKNGADVNANDERGHTPLHLAAYTGHLEIVEVLLKNGAGVNATDVIGTAPLHLAAMWGHLEIVEVLLKNGADVNAQDKFGKTPFDLAIDNGNEDIAEVLQKAATRELEVLFQ

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

Entity 2 non-polymer

description	(2~{S})-4-methyl-2-[[3-[5-(2-methylphenyl)-1,2,3,4-tetrazol-1-yl]-5-(5-methylthiophen-2-yl)phenyl]carbonylamino]pentanoic acid
formula_weight	489.6 kDa
src_method	syn
entity_count	1

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6. Citations (1)

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length_a	75.888 Å
length_b	216.060 Å
length_c	96.014 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	3.112 Å
resolution_low	71.600 Å
r_factor	—
r_work	0.3121
r_free	0.3249

fit	/app/data/saxs_computation/qd/9qd4/9qd4.fit
pddf	/app/data/pr_computation/qd/9qd4/9qd4.pr.out
profile	/app/data/saxs_computation/qd/9qd4/9qd4.dat

Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist cp30a

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)