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9rye

Heterodimeric ABC exporter TmrAB (EQ mutant) in ATP-bound outward-facing occluded conformation in the absence of Mg2+

Method: ELECTRON MICROSCOPY D_max: 145.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rye
deposition_date	2025-07-15
title	Heterodimeric ABC exporter TmrAB (EQ mutant) in ATP-bound outward-facing occluded conformation in the absence of Mg2+
keywords	atp-binding cassette protein, ABC transporter, membrane protein, heterodimer, exporter, transport protein, ATPase; 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	39.01 Å
rg_electron	39.89 Å
i0	287181000.00
molecular_weight	143960.0 kDa
excluded_volume	183040 Å³
envelope_volume	226950 Å³
shell_volume	50338 Å³
envelope_diameter	154.0 Å
shell_rg	42.32 Å
envelope_rg	40.26 Å
shape_rg	39.90 Å
total_rg	39.99 Å
total_atoms	10168
n_residues	1279
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	145.2 Å
rg_real	39.56 Å
rg_real_error	1.74 Å
i0_real	2.8720e+08
i0_real_error	5.6100e+06
rg_reciprocal	39.22 Å
i0_reciprocal	287100000.0000
total_estimate	0.7843
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	35.4 Å
skewness	0.674
kurtosis	0.053
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	86480000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.539; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.710; Smooth: 0.866

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Multidrug resistance ABC transporter ATP-binding and permease protein
formula_weight	70663.8 kDa
mutation	E523Q
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	10168

MTEDTYSKAFDRALFARILRYVWPYRLQVVLALLFLLVVTLAAAATPLFFKWAIDLALVPTEPRPLAERFHLLLWISLGFLAVRAVHFAATYGETYLIQWVGQRVLFDLRSDLFAKLMRLHPGFYDRNPVGRLMTRVTSDVDAINQFITGGLVGVIADLFTLVGLLGFMLFLSPKLTLVVLLVAPVLLAVTTWVRLGMRSAYREMRLRLARVNAALQENLSGVETIQLFVKEREREEKFDRLNRDLFRAWVEIIRWFALFFPVVGFLGDFAVASLVYYGGGEVVRGAVSLGLLVAFVDYTRQLFQPLQDLSDKFNLFQGAMASAERIFGVLDTEEELKDPEDPTPIRGFRGEVEFRDVWLAYTPKGVEPTEKDWVLKGVSFRVRPGEKVALVGATGAGKTSVVSLIARFYDPQRGCVFLDGVDVRRYRQEELRRHVGIVLQEPFLFSGTVLDNLRLFDPSVPPERVEEVARFLGAHEFILRLPKGYQTVLGERGAGLSTGEKQLLALVRALLASPDILLILDQATASVDSETEKRLQEALYKAMEGRTSLIIAHRLSTIRHVDRILVFRKGRLVEEGSHEELLAKGGYYAALYRLQFQEAKLGGGGENLYFQGHHHHHHHHHH

Source

organism	Thermus thermophilus
ncbi_taxonomy_id	274
host_organism	Escherichia coli

Entity 2 polymer

description	Multidrug resistance ABC transporter ATP-binding and permease protein
formula_weight	64634.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MTGRSAAPLLRRLWPYVGRYRWRYLWAVLAGLVSIFFFVLTPYFLRLAVDAVQAGRGFGVYALAIVASAALSGLLSYAMRRLAVVASRQVEYDLRRDLLHHLLTLDRDFYHKHRVGDLMNRLNTDLSAVREMVGPGILMGSRLSFLVLLAFLSMYAVNARLAFYLTLILPGIFLAMRFLLRLIDRRYREAQEVFDRISTLAQEAFSGIRVVKGYALERRMVAWFQDLNRLYVEKSLALARVEGPLHALLGFLMGFAFLTVLWAGGAMVVRGELSVGELVQFNAYLAQLTWPILGLGWVMALYQRGLTSLRRLFELLDEKPAIRDEDPLPLALEDLSGEVRFEGVGLKRDGRWLLRGLTLTIPEGMTLGITGRTGSGKSLLAALVPRLLDPSEGRVYVGGHEARRIPLAVLRKAVGVAPQEPFLFSETILENIAFGLDEVDRERVEWAARLAGIHEEILAFPKGYETVLGERGITLSGGQRQRVALARALAKRPKILILDDALSAVDAETEARILQGLKTVLGKQTTLLISHRTAALRHADWIIVLDGGRIVEEGTHESLLQAGGLYAEMDRLQKEVEA

Source

organism	Thermus thermophilus
ncbi_taxonomy_id	274
host_organism	Escherichia coli

Entity 3 polymer

description	Nanobody Nb9F10
formula_weight	14594.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

MAQLQLVESGGGLVQPGDSLRLSCAVSGSALDYNAIGWFRQAPGKEREGVACISKITGNTAYADSVKGRFTISRDNAKNTVHLQMNSLKPEDTAVYYCATVTAVLLPGRCVPGKYWGQGTPVTVSSHHHHHHEPEA

Source

organism	Vicugna pacos
common_name	alpaca
ncbi_taxonomy_id	30538
host_organism	Escherichia coli

Entity 4 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	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	3.020 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	3.02 Å
resolution_method	—
num_particles	226815

fit	/app/data/saxs_computation/ry/9rye/9rye.fit
pddf	/app/data/pr_computation/ry/9rye/9rye.pr.out
profile	/app/data/saxs_computation/ry/9rye/9rye.dat

Heterodimeric ABC exporter TmrAB (EQ mutant) in ATP-bound outward-facing occluded conformation in the absence of Mg2+

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

EM 3D

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)