SAXSdb — 9ws4

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1. Structure Basics

entry_id	9ws4
deposition_date	2025-09-12
title	Cyro-EM structure of the ACT-451840-bound PfMDR1
keywords	ATP-binding cassette transporter, ATPase activity, membrane proteins, TRANSPORT PROTEIN; TRANSPORT 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	42.97 Å
rg_electron	42.67 Å
i0	499863000.00
molecular_weight	125040.0 kDa
excluded_volume	122710 Å³
envelope_volume	262370 Å³
shell_volume	52169 Å³
envelope_diameter	145.8 Å
shell_rg	47.49 Å
envelope_rg	40.83 Å
shape_rg	42.67 Å
total_rg	42.88 Å
total_atoms	9511
n_residues	1174
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	139.7 Å
rg_real	42.90 Å
rg_real_error	1.27 Å
i0_real	4.9990e+08
i0_real_error	9.4790e+06
rg_reciprocal	42.97 Å
i0_reciprocal	499900000.0000
total_estimate	0.8946
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	64.2 Å
skewness	0.121
kurtosis	-0.696
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	39470000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.924

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	Multidrug resistance protein 1
formula_weight	166659.9 kDa
ec_number	7.6.2.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	9511

MGSWSHPQFEKGGGSGGGSGGSAWSHPQFEKSGDEVDASSGRMGKEQKEKKDGNLSIKEEVEKELNKKSTAELFRKIKNEKISFFLPFKCLPAQHRKLLFISFVCAVLSGGTLPFFISVFGVILKNMNLGDDINPIILSLVSIGLVQFILSMISSYCMDVITSKILKTLKLEYLRSVFYQDGQFHDNNPGSKLRSDLDFYLEQVSSGIGTKFITIFTYASSFLGLYIWSLIKNARLTLCITCVFPLIYVCGVICNKKVKLNKKTSLLYNNNTMSIIEEALMGIRTVASYCGEKTILNKFNLSETFYSKYILKANFVEALHIGLINGLILVSYAFGFWYGTRIIINSATNQYPNNDFNGASVISILLGVLISMFMLTIILPNITEYMKALEATNSLYEIINRKPLVENNDDGETLPNIKKIEFKNVRFHYDTRKDVEIYKDLSFTLKEGKTYAFVGESGCGKSTILKLIERLYDPTEGDIIVNDSHNLKDINLKWWRSKIGVVSQDPLLFSNSIKNNIKYSLYSLKDLEAMENYYEENTNDTYENKNFSLISNSMTSNELLEMKKEYQTIKDSDVVDVSKKVLIHDFVSSLPDKYDTLVGSNASKLSGGQKQRISIARAIMRNPKILILDEATSSLDNKSEYLVQKTINNLKGNENRITIIIAHRLSTIRYANTIFVLSNRERSDNNNNNNNDDNNNNNNNNNNKINNEGSYIIEQGTHDSLMKNKNGIYHLMINNQKISSNKSSNNGNDNGSDNKSSAYKDSDTGNDADNMNSLSIHENENISNNRNCKNTAENEKEEKVPFFKRMFRRKKKAPNNLRIIYKEIFSYKKDVTIIFFSILVAGGLYPVFALLYARYVSTLFDFANLEYNSNKYSIYILLIAIAMFISETLKNYYNNKIGEKVEKTMKRRLFENILYQEMSFFDQDKNTPGVLSAHINRDVHLLKTGLVNNIVIFSHFIMLFLVSMVMSFYFCPIVAAVLTFIYFINMRVFAVRARLTKSKEIEKKENMSSGVFAFSSDDEMFKDPSFLIQEAFYNMHTVINYGLEDYFCNLIEKAIDYKNKGQKRRIIVNAALWGFSQSAQLFINSFAYWFGSFLIKRGTILVDDFMKSLFTFIFTGSYAGKLMSLKGDSENAKLSFEKYYPLMIRKSNIDVRDDGGIRINKNLIKGKVDIKDVNFRYISRPNVPIYKNLSFTCDSKKTTAIVGETGSGKSTFMNLLLRFYDLKNDHIILKNDMTNFQDYQNNNNNSLVLKNVNEFSNQSGSAEDYTVFNNNGEILLDDINICDYNLRDLRNLFSIVSQEPMLFNMSIYENIKFGREDATLEDVKRVSKFAAIDEFIESLPNKYDTNVGPYGKSLSGGQKQRIAIARALLREPKILLLDEATSSLDSNSEKLIEKTIVDIKDKADKTIITIAHRIASIKRSDKIVVFNNPDRNGTFVQSHGTHDELLSAQDGIYKKYVKLAK

Source

organism	Plasmodium falciparum 3D7
ncbi_taxonomy_id	36329
host_organism	Homo sapiens

Entity 2 non-polymer

description	ACT-451840
formula_weight	751.0 kDa
src_method	syn
entity_count	1

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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	3.43 Å
resolution_method	—
num_particles	337745

fit	/app/data/saxs_computation/ws/9ws4/9ws4.fit
pddf	/app/data/pr_computation/ws/9ws4/9ws4.pr.out
profile	/app/data/saxs_computation/ws/9ws4/9ws4.dat

Cyro-EM structure of the ACT-451840-bound PfMDR1

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)