SAXSdb — 8ovb

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	8ovb
沉积日期 deposition_date	2023-04-25
结构标题 title	Human Complement C3b in complex with Trypanosoma brucei ISG65.
关键词 keywords	Complement system, parasite virulence, trypanosome surface protein, host-pathogen complex, IMMUNE SYSTEM; IMMUNE SYSTEM
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	46.63 Å
回转半径 Rg (电子) rg_electron	46.40 Å
零角强度 I(0) i0	493918000.00
分子量 molecular_weight	185370.0 kDa
排除体积 excluded_volume	233000 Å³
包络体积 envelope_volume	335140 Å³
水化壳体积 shell_volume	61115 Å³
包络直径 envelope_diameter	162.4 Å
壳层 Rg shell_rg	49.84 Å
包络 Rg envelope_rg	45.11 Å
形状 Rg shape_rg	46.39 Å
总 Rg total_rg	46.60 Å
总原子数 total_atoms	26116
残基数 n_residues	1655
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	151.1 Å
Rg (实空间) rg_real	46.67 Å
Rg 误差 (实空间) rg_real_error	1.28 Å
I(0) (实空间) i0_real	4.9390e+08
I(0) 误差 (实空间) i0_real_error	9.6910e+06
Rg (倒空间) rg_reciprocal	46.63 Å
I(0) (倒空间) i0_reciprocal	493900000.0000
解质量估计 total_estimate	0.8866
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	53.3 Å
偏度 Skewness skewness	0.265
峰度 Kurtosis kurtosis	-0.569
角度范围 angular_range	— – 0.1700 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	28960000.0000
实空间数据点数 n_real_points	35
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.945; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.689

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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	Complement C3f fragment
分子量 formula_weight	71154.0 kDa
来源方法 src_method	nat
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	26116

SPMYSIITPNILRLESEETMVLEAHDAQGDVPVTVTVHDFPGKKLVLSSEKTVLTPATNHMGNVTFTIPANREFKSEKGRNKFVTVQATFGTQVVEKVVLVSLQSGYLFIQTDKTIYTPGSTVLYRIFTVNHKLLPVGRTVMVNIENPEGIPVKQDSLSSQNQLGVLPLSWDIPELVNMGQWKIRAYYENSPQQVFSTEFEVKEYVLPSFEVIVEPTEKFYYIYNEKGLEVTITARFLYGKKVEGTAFVIFGIQDGEQRISLPESLKRIPIEDGSGEVVLSRKVLLDGVQNPRAEDLVGKSLYVSATVILHSGSDMVQAERSGIPIVTSPYQIHFTKTPKYFKPGMPFDLMVFVTNPDGSPAYRVPVAVQGEDTVQSLTQGDGVAKLSINTHPSQKPLSITVRTKKQELSEAEQATRTMQALPYSTVGNSNNYLHLSVLRTELRPGETLNVNFLLRMDRAHEAKIRYYTYLIMNKGRLLKAGRQVREPGQDLVVLPLSITTDFIPSFRLVAYYTLIGASGQREVVADSVWVDVKDSCVGSLVVKSGQSEDRQPVPGQQMTLKIEGDHGARVVLVAVDKGVFVLNKKNKLTQSKIWDVVEKADIGCTPGSGKDYAGVFSDAGLTFTSSSGQQTAQRAELQCPQ

Entity 2 polymer

描述 description	Complement C3
分子量 formula_weight	104073.2 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B

SNLDEDIIAEENIVSRSEFPESWLWNVEDLKEPPKNGISTKLMNIFLKDSITTWEILAVSMSDKKGICVADPFEVTVMQDFFIDLRLPYSVVRNEQVEIRAVLYNYRQNQELKVRVELLHNPAFCSLATTKRRHQQTVTIPPKSSLSVPYVIVPLKTGLQEVEVKAAVYHHFISDGVRKSLKVVPEGIRMNKTVAVRTLDPERLGREGVQKEDIPPADLSDQVPDTESETRILLQGTPVAQMTEDAVDAERLKHLIVTPSGCGEQNMIGMTPTVIAVHYLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLCGAVKWLILEKQKPDGVFQEDAPVIHQEMIGGLRNNNEKDMALTAFVLISLQEAKDICEEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPDHQELNLDVSLQLPSRSSKITHRIHWESASLLRSEETKENEGFTVTAEGKGQGTLSVVTMYHAKAKDQLTCNKFDLKVTIKPAPETEKRPQDAKNTMILEICTRYRGDQDATMSILDISMMTGFAPDTDDLKQLANGVDRYISKYELDKAFSDRNTLIIYLDKVSHSEDDCLAFKVHQYFNVELIQPGAVKVYAYYNLEESCTRFYHPEKEDGKLNKLCRDELCRCAEENCFIQKSDDKVTLEERLDKACEPGVDYVYKTRLVKVQLSNDFDEYIMAIEQTIKSGSDEVQVGQQRTFISPIKCREALKLEEKKHYLMWGLSSDFWGEKPNLSYIIGKDTWVEHWPEEDECQDEENQKQCQDLGAFTESMVVFGCPN

Entity 3 polymer

描述 description	ISG65 G
分子量 formula_weight	32597.3 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	C

DNRVPGDKNLTKEGAAALCKMKHLADKVAEKRSQELKDRTQNFAGYIEFELYRIDYWLEKLNGPKGRKDGYAKLSDSDIEKVKEIFDKAKDGIAKQLPEAKKAGEDAEKLHTEVKEAAANARGQDLDDHKQKSTGLYRVLNWYCITKEESHNATPNCDGIQFRNHYLSVNRSAIDCSSTGYEENYDWSANALQVALNSWENVKPKKLESAGSDENCNIGQSSESHPCTMTEEWQTHYKETVKKLKELEGAHEKGRRAHDAMLGYANTAYAVNTKVEQEKPLAEVIAAAK

来源 Source

来源生物 organism	Trypanosoma brucei brucei
NCBI 分类编号 ncbi_taxonomy_id	5702
宿主生物 host_organism	Homo sapiens

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7. 引用文献 (1)

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分辨率 resolution	3.40 Å
分辨率测定方法 resolution_method	—
颗粒数 num_particles	481606

fit	/app/data/saxs_computation/ov/8ovb/8ovb.fit
pddf	/app/data/pr_computation/ov/8ovb/8ovb.pr.out
profile	/app/data/saxs_computation/ov/8ovb/8ovb.dat

Human Complement C3b in complex with Trypanosoma brucei ISG65.

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

冷冻电镜 EM 3D

5. 实体与聚合体信息 (3)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 polymer

聚合体 Polymer

来源 Source

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)