9ju6

Tribolium castaneum ABCH-9C in complex with NBD-ceramide(d36:1)

Method: ELECTRON MICROSCOPY D_max: 134.5 Å Quality: REASONABLE

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	9ju6
沉积日期 deposition_date	2024-10-07
结构标题 title	Tribolium castaneum ABCH-9C in complex with NBD-ceramide(d36:1)
关键词 keywords	ATP-binding cassette (ABC) transporter, ABCH, 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	41.01 Å
回转半径 Rg (电子) rg_electron	40.68 Å
零角强度 I(0) i0	581744000.00
分子量 molecular_weight	134800.0 kDa
排除体积 excluded_volume	132320 Å³
包络体积 envelope_volume	249050 Å³
水化壳体积 shell_volume	53664 Å³
包络直径 envelope_diameter	139.3 Å
壳层 Rg shell_rg	43.56 Å
包络 Rg envelope_rg	40.36 Å
形状 Rg shape_rg	40.61 Å
总 Rg total_rg	40.93 Å
总原子数 total_atoms	10225
残基数 n_residues	1284
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	134.5 Å
Rg (实空间) rg_real	41.29 Å
Rg 误差 (实空间) rg_real_error	1.10 Å
I(0) (实空间) i0_real	5.8170e+08
I(0) 误差 (实空间) i0_real_error	1.0140e+07
Rg (倒空间) rg_reciprocal	41.01 Å
I(0) (倒空间) i0_reciprocal	581600000.0000
解质量估计 total_estimate	0.6027
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	41.4 Å
偏度 Skewness skewness	0.531
峰度 Kurtosis kurtosis	-0.418
角度范围 angular_range	— – 0.1950 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	46320000.0000
实空间数据点数 n_real_points	40
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.783; Stabil: 1.000; Sysdev: 0.107; Positv: 1.000; Valcen: 0.857; Smooth: 0.305

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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	ABC transporter G family member 23-like Protein
分子量 formula_weight	87774.4 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	10225

MGEDDKLKRMFSWSSNALSEGSAMGERVEPVVPGPDLVGVNVERPPAPLVHQQSTVWSKRQHAVCVRHAFKQYGSKKNPNHVLSDLNMTVAKGTIYGLLGASGCGKTTLLSCIVGRRRLNTGEIWVLGGKPGTKGSGVPGKRVGYMPQEIALYGEFSIKETMMYFGWIFGMESSEINERLQFLLNFLDLPSQNRLVKNLSGGQQRRVSFAVALMHDPELLILDEPTVGVDPLLRQSIWNHLVQITKDGNKTVIITTHYIEEARQAHTIGLMRSGKLLAEESPHVLLSMYGCQSLEEVFLKLSRKQGQANQNDINISNNISLATLNWGKKDSISVTEESGVVGLNFHQSKEILIADSTNGHIDLNGLGKPSSSKSSMADACDDCSCSDMTSWGKIKALLQKNFLRMWRNVGVMLFIFALPVMQVILFCLAIGRDPTGLKLAIVNHEKNYTNQSYQECSFDYGCKFSYLSCRYLNNLRNSTILKEYYPDPESAVDAVKQGHAWGALYFTENFTDALVARMALGKDADPETLDQSEVRVWLDMSNQQIGIILQRDLQLSYQDFAKDLLGACEQNPDLAEIPISFKEPIYGSNKPSFTDFVAPGVILTIVFFLAVALTSSALIIERMEGLLDRSWVAGVTPGEILFSHVVTQFVVMCGQTALVLIFMILVFGVQCKGDIGWVIVLTILQGLCGMCFGFVISAICELERNAIQLALGSFYPTLLLSGVIWPIEGMPTVLRYVSTFLPLTLATTSLRAMLTRGWSIAEPAVYYGFLATIIWIVAFLTISMLVLRFKRG

来源 Source

来源生物 organism	Tribolium castaneum
通用名 common_name	red flour beetle
NCBI 分类编号 ncbi_taxonomy_id	7070
宿主生物 host_organism	Homo sapiens

Entity 2 non-polymer

描述 description	~{N}-[(~{E},2~{S},3~{R})-18-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1,3-bis(oxidanyl)octadec-4-en-2-yl]octadecanamide
分子量 formula_weight	744.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 3 non-polymer

描述 description	;[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-[(5~{Z},8~{Z},11~{E},14~{E},17~{Z})-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] octadecanoate ;
分子量 formula_weight	752.1 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	—

分辨率 resolution	3.02 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	241308

fit	/app/data/saxs_computation/ju/9ju6/9ju6.fit
pddf	/app/data/pr_computation/ju/9ju6/9ju6.pr.out
profile	/app/data/saxs_computation/ju/9ju6/9ju6.dat