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9qo8

Inward-open structure of human GABA transporter 3 bound to selective inhibitor SR-THAP

Method: ELECTRON MICROSCOPY D_max: 87.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qo8
deposition_date	2025-03-25
title	Inward-open structure of human GABA transporter 3 bound to selective inhibitor SR-THAP
keywords	;Transport protein, SLC6A11, neurotransmitter/sodium symporter, Sodium- and chloride-dependent GABA transporter 3, GAT3, 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	24.64 Å
rg_electron	23.76 Å
i0	102997000.00
molecular_weight	56651.0 kDa
excluded_volume	56551 Å³
envelope_volume	88778 Å³
shell_volume	30445 Å³
envelope_diameter	88.5 Å
shell_rg	31.76 Å
envelope_rg	24.28 Å
shape_rg	23.76 Å
total_rg	24.42 Å
total_atoms	4292
n_residues	535
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	87.6 Å
rg_real	24.61 Å
rg_real_error	0.54 Å
i0_real	1.0300e+08
i0_real_error	1.3600e+06
rg_reciprocal	24.62 Å
i0_reciprocal	103000000.0000
total_estimate	0.6931
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	29.2 Å
skewness	0.395
kurtosis	-0.107
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0001
highest_alpha	16450000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.682; Stabil: 1.000; Sysdev: 0.338; Positv: 1.000; Valcen: 0.951; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Sodium- and chloride-dependent GABA transporter 3
formula_weight	70660.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4299

MTAEKALPLGNGKAAEEARESEAPGGGCSSGGAAPARHPRVKRDKAVHERGHWNNKVEFVLSVAGEIIGLGNVWRFPYLCYKNGGGAFLIPYVVFFICCGIPVFFLETALGQFTSEGGITCWRKVCPLFEGIGYATQVIEAHLNVYYIIILAWAIFYLSNCFTTELPWATCGHEWNTENCVEFQKLNVSNYSHVSLQNATSPVMEFWEHRVLAISDGIEHIGNLRWELALCLLAAWTICYFCIWKGTKSTGKVVYVTATFPYIMLLILLIRGVTLPGASEGIKFYLYPDLSRLSDPQVWVDAGTQIFFSYAICLGCLTALGSYNNYNNNCYRDCIMLCCLNSGTSFVAGFAIFSVLGFMAYEQGVPIAEVAESGPGLAFIAYPKAVTMMPLSPLWATLFFMMLIFLGLDSQFVCVESLVTAVVDMYPKVFRRGYRRELLILALSVISYFLGLVMLTEGGMYIFQLFDSYAASGMCLLFVAIFECICIGWVYGSNRFYDNIEDMIGYRPPSLIKWCWMIMTPGICAGIFIFFLIKYKPLKYNNIYTYPAWGYGIGWLMALSSMLCIPLWICITVWKTEGTLPEKLQKLTTPSTDLKMRGKLGVSPRMVTVNDCDAKLKSDGTIAAITEKETHF

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Homo sapiens

Entity 2 non-polymer

description	;(2S, 2'R)-2-hydroxy-2-(1-((E)-4,4,4-tris(4-methoxyphenyl)but-2-en-1-yl)pyrrolidin-2'-yl)acetic acid ;
formula_weight	517.6 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	7

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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	2.90 Å
resolution_method	—
num_particles	139776

fit	/app/data/saxs_computation/qo/9qo8/9qo8.fit
pddf	/app/data/pr_computation/qo/9qo8/9qo8.pr.out
profile	/app/data/saxs_computation/qo/9qo8/9qo8.dat