2a73

Human Complement Component C3

Method: X-RAY DIFFRACTION D_max: 149.6 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	2a73
沉积日期 deposition_date	2005-07-04
结构标题 title	Human Complement Component C3
关键词 keywords	INTACT THIOESTER, IMMUNE SYSTEM; IMMUNE SYSTEM
实验方法 method	X-RAY DIFFRACTION

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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	43.40 Å
回转半径 Rg (电子) rg_electron	42.97 Å
零角强度 I(0) i0	492042000.00
分子量 molecular_weight	182900.0 kDa
排除体积 excluded_volume	229670 Å³
包络体积 envelope_volume	318240 Å³
水化壳体积 shell_volume	63508 Å³
包络直径 envelope_diameter	160.0 Å
壳层 Rg shell_rg	46.28 Å
包络 Rg envelope_rg	42.47 Å
形状 Rg shape_rg	42.97 Å
总 Rg total_rg	43.15 Å
总原子数 total_atoms	12860
残基数 n_residues	1611
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	149.6 Å
Rg (实空间) rg_real	43.54 Å
Rg 误差 (实空间) rg_real_error	2.17 Å
I(0) (实空间) i0_real	4.9200e+08
I(0) 误差 (实空间) i0_real_error	9.4400e+06
Rg (倒空间) rg_reciprocal	43.40 Å
I(0) (倒空间) i0_reciprocal	492000000.0000
解质量估计 total_estimate	0.7459
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	49.9 Å
偏度 Skewness skewness	0.481
峰度 Kurtosis kurtosis	-0.017
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	50160000.0000
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: 0.642; Stabil: 0.931; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.000

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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 (4)

Entity 1 polymer

描述 description	Complement C3
分子量 formula_weight	71267.2 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	A
原子数 atom_count	12860

SPMYSIITPNILRLESEETMVLEAHDAQGDVPVTVTVHDFPGKKLVLSSEKTVLTPATNHMGNVTFTIPANREFKSEKGRNKFVTVQATFGTQVVEKVVLVSLQSGYLFIQTDKTIYTPGSTVLYRIFTVNHKLLPVGRTVMVNIENPEGIPVKQDSLSSQNQLGVLPLSWDIPELVNMGQWKIRAYYENSPQQVFSTEFEVKEYVLPSFEVIVEPTEKFYYIYNEKGLEVTITARFLYGKKVEGTAFVIFGIQDGEQRISLPESLKRIPIEDGSGEVVLSRKVLLDGVQNLRAEDLVGKSLYVSATVILHSGSDMVQAERSGIPIVTSPYQIHFTKTPKYFKPGMPFDLMVFVTNPDGSPAYRVPVAVQGEDTVQSLTQGDGVAKLSINTHPSQKPLSITVRTKKQELSEAEQATRTMQALPYSTVGNSNNYLHLSVLRTELRPGETLNVNFLLRMDRAHEAKIRYYTYLIMNKGRLLKAGRQVREPGQDLVVLPLSITTDFIPSFRLVAYYTLIGASGQREVVADSVWVDVKDSCVGSLVVKSGQSEDRQPVPGQQMTLKIEGDHGARVVLVAVDKGVFVLNKKNKLTQSKIWDVVEKADIGCTPGSGKDYAGVFSDAGLTFTSSSGQQTAQRAELQCPQP

Entity 2 polymer

描述 description	Complement C3
分子量 formula_weight	113082.8 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

VQLTEKRMDKVGKYPKELRKCCEDGMRENPMRFSCQRRTRFISLGEACKKVFLDCCNYITELRRQHARASHLGLARSNLDEDIIAEENIVSRSEFPESWLWNVEDLKEPPKNGISTKLMNIFLKDSITTWEILAVSMSDKKGICVADPFEVTVMQDFFIDLRLPYSVVRNEQVEIRAVLYNYRQNQELKVRVELLHNPAFCSLATTKRRHQQTVTIPPKSSLSVPYVIVPLKTGLQEVEVKAAVYHHFISDGVRKSLKVVPEGIRMNKTVAVRTLDPERLGREGVQKEDIPPADLSDQVPDTESETRILLQGTPVAQMTEDAVDAERLKHLIVTPSGCGEQNMIGMTPTVIAVHYLDETEQWEKFGLEKRQGALELIKKGYTQQLAFRQPSSAFAAFVKRAPSTWLTAYVVKVFSLAVNLIAIDSQVLCGAVKWLILEKQKPDGVFQEDAPVIHQEMIGGLRNNNEKDMALTAFVLISLQEAKDICEEQVNSLPGSITKAGDFLEANYMNLQRSYTVAIAGYALAQMGRLKGPLLNKFLTTAKDKNRWEDPGKQLYNVEATSYALLALLQLKDFDFVPPVVRWLNEQRYYGGGYGSTQATFMVFQALAQYQKDAPDHQELNLDVSLQLPSRSSKITHRIHWESASLLRSEETKENEGFTVTAEGKGQGTLSVVTMYHAKAKDQLTCNKFDLKVTIKPAPETEKRPQDAKNTMILEICTRYRGDQDATMSILDISMMTGFAPDTDDLKQLANGVDRYISKYELDKAFSDRNTLIIYLDKVSHSEDDCLAFKVHQYFNVELIQPGAVKVYAYYNLEESCTRFYHPEKEDGKLNKLCRDELCRCAEENCFIQKSDDKVTLEERLDKACEPGVDYVYKTRLVKVQLSNDFDEYIMAIEQTIKSGSDEVQVGQQRTFISPIKCREALKLEEKKHYLMWGLSSDFWGEKPNLSYIIGKDTWVEHWPEEDECQDEENQKQCQDLGAFTESMVVFGCPN

Entity 3 branched

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	424.4 kDa
来源方法 src_method	man
拷贝数 entity_count	1

Entity 4 branched

描述 description	;alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
分子量 formula_weight	910.8 kDa
来源方法 src_method	man
拷贝数 entity_count	1

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6. 折叠分类 (SCOP + CATH) 28 domains

SCOP 2.08 (15 domains)

结构域编号 domain_id	d2a73.1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.29 — Macroglobulin
家族 Family family	b.1.29.7 — Complement C3 MG6-like

结构域编号 domain_id	d2a73a1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.29 — Macroglobulin
家族 Family family	b.1.29.2 — Complement C3 MG1-like

结构域编号 domain_id	d2a73a2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.29 — Macroglobulin
家族 Family family	b.1.29.3 — Complement C3 MG2-like

结构域编号 domain_id	d2a73a3
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.29 — Macroglobulin
家族 Family family	b.1.29.4 — Complement C3 MG3-like

结构域编号 domain_id	d2a73a4
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.29 — Macroglobulin
家族 Family family	b.1.29.5 — Complement C3 MG4-like

结构域编号 domain_id	d2a73a5
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.29 — Macroglobulin
家族 Family family	b.1.29.6 — Complement C3 MG5-like

结构域编号 domain_id	d2a73a6
类 Class class	g — Small proteins
折叠类型 Fold fold	g.94 — Complement C3 linker domain-like
超家族 Superfamily superfamily	g.94.1 — Complement C3 linker domain-like
家族 Family family	g.94.1.1 — Complement C3 linker domain-like

结构域编号 domain_id	d2a73b1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.29 — Macroglobulin
家族 Family family	b.1.29.8 — Complement C3 MG7-like

结构域编号 domain_id	d2a73b2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.29 — Macroglobulin
家族 Family family	b.1.29.1 — Alpha-macroglobulin receptor domain

结构域编号 domain_id	d2a73b3
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.50 — Anaphylotoxins (complement system)
超家族 Superfamily superfamily	a.50.1 — Anaphylotoxins (complement system)
家族 Family family	a.50.1.1 — Anaphylotoxins (complement system)

结构域编号 domain_id	d2a73b4
类 Class class	j — Peptides
折叠类型 Fold fold	j.127 — Complement system alpha-prime linker
超家族 Superfamily superfamily	j.127.1 — Complement system alpha-prime linker
家族 Family family	j.127.1.1 — Complement system alpha-prime linker

结构域编号 domain_id	d2a73b5
类 Class class	j — Peptides
折叠类型 Fold fold	j.128 — Complement system anchor region
超家族 Superfamily superfamily	j.128.1 — Complement system anchor region
家族 Family family	j.128.1.1 — Complement system anchor region

结构域编号 domain_id	d2a73b6
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.23 — CUB-like
超家族 Superfamily superfamily	b.23.4 — Complement system CUB domain
家族 Family family	b.23.4.1 — Complement system CUB domain

结构域编号 domain_id	d2a73b7
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.102 — alpha/alpha toroid
超家族 Superfamily superfamily	a.102.4 — Terpenoid cyclases/Protein prenyltransferases
家族 Family family	a.102.4.4 — Complement components

结构域编号 domain_id	d2a73b8
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.3 — TIMP-like
家族 Family family	b.40.3.3 — Netrin-like domain (NTR/C345C module)

CATH v4.4 (13 domains)

结构域编号 domain_id	2a73A01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	1930 — Macroglobulin (MG2) domain

结构域编号 domain_id	2a73A02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	1930 — Macroglobulin (MG2) domain

结构域编号 domain_id	2a73A03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	1940 —

结构域编号 domain_id	2a73A04
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	2a73A05
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	1930 — Macroglobulin (MG2) domain

结构域编号 domain_id	2a73A06
类 Class class	6 — Special
架构 Architecture architecture	20 — Other non-globular
拓扑 Topology topology	50 — N-terminal domain of TfIIb
同源超家族 H-superfamily homologous superfamily	160 —

结构域编号 domain_id	2a73B01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	91 — Influenza Virus Matrix Protein; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	20 — Anaphylotoxins (complement system)

结构域编号 domain_id	2a73B02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	20 — Single Sheet
拓扑 Topology topology	130 — S-adenosyl-L-methionine-dependent methyltransferases
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	2a73B03
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	2a73B04
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	120 — Jelly Rolls
同源超家族 H-superfamily homologous superfamily	1540 —

结构域编号 domain_id	2a73B05
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	50 — Alpha/alpha barrel
拓扑 Topology topology	10 — Glycosyltransferase
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	2a73B06
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	690 — Alpha-macroglobulin, receptor-binding domain

结构域编号 domain_id	2a73B07
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily	120 —

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7. 引用文献 (1)

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晶胞边长 a length_a	116.980 Å
晶胞边长 b length_b	156.260 Å
晶胞边长 c length_c	271.200 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	8

空间群 space_group	I 2 2 2
空间群编号 int_tables_number	23
晶系 crystal_system	—

分辨率 resolution	3.300 Å
最低分辨率 resolution_low	40.000 Å
R 因子 r_factor	0.2330
R_work r_work	0.2301
R_free r_free	0.2894

fit	/app/data/saxs_computation/a7/2a73/2a73.fit
pddf	/app/data/pr_computation/a7/2a73/2a73.pr.out
profile	/app/data/saxs_computation/a7/2a73/2a73.dat

Human Complement Component C3

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

衍射实验 Diffraction

5. 实体与聚合体信息 (4)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 branched

Entity 4 branched

6. 折叠分类 (SCOP + CATH) 28 domains

SCOP 2.08 (15 domains)

CATH v4.4 (13 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)