9oe9

Zebrafish Abcb4 in IF-Wide conformation in the presence of Vincristine (VCR-IF-Wide)

Method: ELECTRON MICROSCOPY D_max: 133.0 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9oe9
沉积日期 deposition_date	2025-04-28
结构标题 title	Zebrafish Abcb4 in IF-Wide conformation in the presence of Vincristine (VCR-IF-Wide)
关键词 keywords	Multidrug resistance, Zebrafish Abcb4, P-gp, Vincristine, TRANSPORT PROTEIN; TRANSPORT PROTEIN
实验方法 method	ELECTRON MICROSCOPY

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2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	43.99 Å
回转半径 Rg (电子) rg_electron	43.72 Å
零角强度 I(0) i0	233524000.00
分子量 molecular_weight	128340.0 kDa
排除体积 excluded_volume	162070 Å³
包络体积 envelope_volume	246750 Å³
水化壳体积 shell_volume	47266 Å³
包络直径 envelope_diameter	132.9 Å
壳层 Rg shell_rg	49.57 Å
包络 Rg envelope_rg	41.22 Å
形状 Rg shape_rg	43.71 Å
总 Rg total_rg	44.04 Å
总原子数 total_atoms	9013
残基数 n_residues	1155
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	133.0 Å
Rg (实空间) rg_real	43.82 Å
Rg 误差 (实空间) rg_real_error	1.00 Å
I(0) (实空间) i0_real	2.3350e+08
I(0) 误差 (实空间) i0_real_error	4.3640e+06
Rg (倒空间) rg_reciprocal	43.98 Å
I(0) (倒空间) i0_reciprocal	233600000.0000
解质量估计 total_estimate	0.8510
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	73.9 Å
偏度 Skewness skewness	-0.067
峰度 Kurtosis kurtosis	-0.923
角度范围 angular_range	— – 0.1800 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	19600000.0000
实空间数据点数 n_real_points	37
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.779; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.746

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4. 晶体学与实验 4. Crystallography & Experiment

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5. 实体与聚合体信息 (3)

Entity 1 polymer

描述 description	ATP-binding cassette, sub-family B (MDR/TAP), member 4
分子量 formula_weight	141919.8 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	9013

MGKKSKLKVSSDKKEENGDVSGEKNGKEEKEEKEKLEMVGPIELFRYADSIDILLMMLGLIMSMANGAVLPLMVIVFGDMTDSFVDDTLLDNLKNITLPPNFTFPETSNITLGEKMTTHAIYYSIMGFVVLVAAYMQVAFWTLAAGRQVKKLRKIFFHSIMKQEIGWFDVNETGQLNTRLTDDVYKINEGIGDKLGMLIQNLTTFIVGIIIGFAKGWKLTLVILAVSPLLGISAAVIGKVMTTFTSKEQTAYAKAGAVAEEVLSSIRTVFAFGGQKKEIKRYHKNLEDAKNVGVRKAITVNIAMGFTFFMIYMSYALAFWYGSTLILGGEYTIGMLLTIFFAVLIGAFGLGQTSPNIQTFSSARGAAHKVFQIIDHEPKINSFSEEGYKLDVVKGNIEFKNIHFRYPSRDDVKVLNGMNLKVMSGQTIALVGSSGCGKSTTIQLLQRFYDPQEGSVSIDGHDIRSLNVRGLRELIGVVSQEPVLFATTIAENIRYGRQDVTQDEIEQAAREANAYNFIMKLPDKFETLVGDRGTQMSGGQKQRIAIARALVRNPKILLLDEATSALDAESETIVQAALDKVRLGRTTIVVAHRLSTIRNADVIAGFQNGEIVELGTHDELMERKGIYHSLVNMQMFKSTEVAEEDSEEMTMDEKSPSVSSMNERTLFRQKSRSGSEKELKEEEKPTEEEKVPNVSFLTVLKLNYPEWPYMVVGILCATINGGMQPAFAVIFSKIIAVFAEPDQNLVRQRCDLYSLLFAGIGVLSFFTLFLQGFCFGKAGELLTMRLRFKAFNAMMRQDLAWYDDTKNSVGALTTRLAADTAQVQGATGVRLATLAQNVANLGTAIVISFVYGWQLTLLILSIVPIMAVAGAIQMKLLAGHALKDKKELEQAGKIATEAIENVRTVVSLTRESKFESLYEENLIVPYKNAKKKAHVFGLTFSFSQAMIYFAYAGCFKFGSWLIEQKLMTFEGVFLVISAVVYGAMAVGEANSFTPNYAKAKMSASHVLMLINRAPAIDNSSEDGDKPDKFEGNVGFEHVYFKYPSRPDVPVLQGLKLRVKKGQTLALVGSSGCGKSTTIQLLERFYDPQQGRVMLDDNDAKQLNIHWLRSQIGIVSQEPVLFDCSLAENIAYGDNSREVDQEEIVEAAKAANIHSFIENLPQRYQTQAGDKGTQLSGGQKQRIAIARAILRNPKVLLLDEATSALDTESEKIVQDALDKASKGRTCIIVAHRLSTIQNADCIAVVQNGVVVEQGTHQQLLSQQGAYYTLVTSQMSHHHHHHH

来源 Source

来源生物 organism	Danio rerio
通用名 common_name	zebrafish
NCBI 分类编号 ncbi_taxonomy_id	7955
宿主生物 host_organism	Komagataella pastoris

Entity 2 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 3 non-polymer

描述 description	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
分子量 formula_weight	523.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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7. 引用文献 (1)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	—

空间群 space_group	P 1
空间群编号 int_tables_number	1
晶系 crystal_system	triclinic

分辨率 resolution	4.090 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	—
R_work r_work	—
R_free r_free	—

分辨率 resolution	4.09 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	101031

fit	/app/data/saxs_computation/oe/9oe9/9oe9.fit
pddf	/app/data/pr_computation/oe/9oe9/9oe9.pr.out
profile	/app/data/saxs_computation/oe/9oe9/9oe9.dat

Zebrafish Abcb4 in IF-Wide conformation in the presence of Vincristine (VCR-IF-Wide)

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

1. 结构基本信息 1. Structure Basics

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

4. 晶体学与实验 4. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

冷冻电镜 EM 3D