SAXSdb — 9lg7

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	9lg7
沉积日期 deposition_date	2025-01-10
结构标题 title	;bovine ABCC1 bound to 2'3'-CDAS (in the presence of GSH) ;
关键词 keywords	;ABC transporter, inward-open ABCC1, 2'3'-CDAS, PROTEIN TRANSPORT ;; PROTEIN TRANSPORT
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	42.19 Å
回转半径 Rg (电子) rg_electron	42.21 Å
零角强度 I(0) i0	305114000.00
分子量 molecular_weight	151560.0 kDa
排除体积 excluded_volume	193380 Å³
包络体积 envelope_volume	267190 Å³
水化壳体积 shell_volume	54370 Å³
包络直径 envelope_diameter	150.2 Å
壳层 Rg shell_rg	45.71 Å
包络 Rg envelope_rg	41.60 Å
形状 Rg shape_rg	42.25 Å
总 Rg total_rg	42.27 Å
总原子数 total_atoms	10679
残基数 n_residues	1338
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	143.4 Å
Rg (实空间) rg_real	42.23 Å
Rg 误差 (实空间) rg_real_error	1.70 Å
I(0) (实空间) i0_real	3.0510e+08
I(0) 误差 (实空间) i0_real_error	6.1050e+06
Rg (倒空间) rg_reciprocal	42.19 Å
I(0) (倒空间) i0_reciprocal	305100000.0000
解质量估计 total_estimate	0.8868
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	54.3 Å
偏度 Skewness skewness	0.301
峰度 Kurtosis kurtosis	-0.438
角度范围 angular_range	— – 0.1850 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	31030000.0000
实空间数据点数 n_real_points	38
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.882; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.902

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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 (2)

Entity 1 polymer

描述 description	Multidrug resistance-associated protein 1
分子量 formula_weight	175004.7 kDa
EC 编号 ec_number	7.6.2.2,7.6.2.3
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	10679

MALRDFCSVDGSDLFWEWNVTWNTSNPDFTKCFQNTVLVWVPCSYLWVCFPFYFLYLSHHDRGYIQMTHLNKAKTALGFLLWIVCWADLFYSFWERSMGKLLAPVFLVSPTLLGITMLLATFLIQIERRRGVQSSGIMLTFWLIALLCALAILRSKIMTALKEDARVDVFRDVTFYIYFSLVLIQLVLSCFSDRSPLFSETINDPNPCPESSASFLSRITFWWITGMMVQGYRQPLESTDLWSLNKEDTSEQVVPVLVKNWKKECAKSRKQPVKIVYSSKDPAKPKGSSKVDVNEEAEALIVKCPQKERDPSLFKVLYKTFGPYFLMSFLFKAVHDLMMFAGPEILKLLINFVNDKKAPEWQGYFYTALLFISACLQTLVLHQYFHICFVSGMRIKTAVIGAVYRKALVITNAARKSSTVGEIVNLMSVDAQRFMDLATYINMIWSAPLQVILALYLLWLNLGPSVLAGVAVMVLMVPLNAVMAMKTKTYQVAHMKSKDNRIKLMNEILNGIKVLKLYAWELAFKDKVLAIRQEELKVLKKSAYLAAVGTFTWVCTPFLVALSTFAVYVTVDENNILDAQKAFVSLALFNILRFPLNILPMVISSIVQASVSLKRLRVFLSHEDLDPDSIQRRPIKDAGATNSITVKNATFTWARNDPPTLHGITFSVPEGSLVAVVGQVGCGKSSLLSALLAEMDKVEGHVTVKGSVAYVPQQAWIQNISLRENILFGRQLQERYYKAVVEACALLPDLEILPSGDRTEIGEKGVNLSGGQKQRVSLARAVYCDSDVYLLDDPLSAVDAHVGKHIFENVIGPKGLLKNKTRLLVTHAISYLPQMDVIIVMSGGKISEMGSYQELLARDGAFAEFLRTYASAEQEQGQPEDGLAGVGGPGKEVKQMENGMLVTDTAGKQMQRQLSSSSSYSRDVSQHHTSTAELRKPGPTEETWKLVEADKAQTGQVKLSVYWDYMKAIGLFISFLSIFLFLCNHVASLVSNYWLSLWTDDPIVNGTQEHTQVRLSVYGALGISQGITVFGYSMAVSIGGIFASRRLHLDLLHNVLRSPISFFERTPSGNLVNRFSKELDTVDSMIPQVIKMFMGSLFNVIGACIIILLATPMAAVIIPPLGLIYFFVQRFYVASSRQLKRLESVSRSPVYSHFNETLLGVSVIRAFEEQERFIRQSDLKVDENQKAYYPSIVANRWLAVRLECVGNCIVLFASLFAVISRHSLSAGLVGLSVSYSLQVTTYLNWLVRMSSEMETNIVAVERLKEYSETEKEAPWQIQDMAPPKDWPQVGRVEFRDYGLRYREDLDLVLKHINVTIDGGEKVGIVGRTGAGKSSLTLGLFRIKESAEGEIIIDDINIAKIGLHDLRFKITIIPQDPVLFSGSLRMNLDPFSQYSDEEVWTSLELAHLKGFVSALPDKLNHECAEGGENLSVGQRQLVCLARALLRKTKILVLDEATAAVDLETDDLIQSTIRTQFDDCTVLTIAHRLNTIMDYTRVIVLDKGEIQEWGSPSDLLQQRGLFYSMAKDSGLVKLGSENLYFQGGSGGSGHHHHHHHHHHH

来源 Source

来源生物 organism	Bos taurus
通用名 common_name	domestic cattle
NCBI 分类编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	Spodoptera frugiperda

Entity 2 non-polymer

描述 description	;(1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol ;
分子量 formula_weight	690.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

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7. 引用文献 (1)

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分辨率 resolution	3.64 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	146406

fit	/app/data/saxs_computation/lg/9lg7/9lg7.fit
pddf	/app/data/pr_computation/lg/9lg7/9lg7.pr.out
profile	/app/data/saxs_computation/lg/9lg7/9lg7.dat

;bovine ABCC1 bound to 2'3'-CDAS (in the presence of GSH) ;

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution