1za3

The crystal structure of the YSd1 Fab bound to DR5

Method: X-RAY DIFFRACTION D_max: 125.3 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	1za3
沉积日期 deposition_date	2005-04-05
结构标题 title	The crystal structure of the YSd1 Fab bound to DR5
关键词 keywords	;phage display, protein engineering, combinatorial mutagenesis, antibody library, death receptor-5, IMMUNE SYSTEM-SIGNALING PROTEIN COMPLEX ;; IMMUNE SYSTEM/SIGNALING PROTEIN
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	37.71 Å
回转半径 Rg (电子) rg_electron	37.07 Å
零角强度 I(0) i0	222913000.00
分子量 molecular_weight	116100.0 kDa
排除体积 excluded_volume	143360 Å³
包络体积 envelope_volume	202020 Å³
水化壳体积 shell_volume	46844 Å³
包络直径 envelope_diameter	128.1 Å
壳层 Rg shell_rg	41.85 Å
包络 Rg envelope_rg	36.20 Å
形状 Rg shape_rg	37.06 Å
总 Rg total_rg	37.43 Å
总原子数 total_atoms	8149
残基数 n_residues	1039
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	125.3 Å
Rg (实空间) rg_real	37.75 Å
Rg 误差 (实空间) rg_real_error	1.04 Å
I(0) (实空间) i0_real	2.2290e+08
I(0) 误差 (实空间) i0_real_error	3.7800e+06
Rg (倒空间) rg_reciprocal	37.73 Å
I(0) (倒空间) i0_reciprocal	222900000.0000
解质量估计 total_estimate	0.8956
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	41.8 Å
偏度 Skewness skewness	0.323
峰度 Kurtosis kurtosis	-0.463
角度范围 angular_range	— – 0.2100 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	20300000.0000
实空间数据点数 n_real_points	43
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.908; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.921

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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	Fab-YSd1 light chain
分子量 formula_weight	23148.6 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,L
原子数 atom_count	8149

DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYAASYLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQSSSSPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606

Entity 2 polymer

描述 description	Fab-YSd1 heavy chain
分子量 formula_weight	25231.0 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	B,H

EVQLVESGGGLVQPGGSLRLSCAASGFSIYSYSIHWVRQAPGKGLEWVASISPYSGYTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRYSSYYSYYYSSSSYSYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606

Entity 3 polymer

描述 description	Tumor necrosis factor receptor superfamily member 10B
分子量 formula_weight	14991.8 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	R,S

GSHMALITQQDLAPQQRAAPQQKRSSPSEGLCPPGHHISEDGRDCISCKYGQDYSTHWNDLLFCLRCTRCDSGEVELSPCTTTRNTVCQCEEGTFREEDSPEMCRKCRTGCPRGMVKVGDCTPWSDIECVHKES

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Spodoptera frugiperda

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6. 折叠分类 (SCOP + CATH) 26 domains

SCOP 2.08 (14 domains)

结构域编号 domain_id	d1za3a1
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.1.1 — Immunoglobulin
家族 Family family	b.1.1.1 — V set domains (antibody variable domain-like)

结构域编号 domain_id	d1za3a2
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.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d1za3b1
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.1.1 — Immunoglobulin
家族 Family family	b.1.1.1 — V set domains (antibody variable domain-like)

结构域编号 domain_id	d1za3b2
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.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d1za3h1
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.1.1 — Immunoglobulin
家族 Family family	b.1.1.1 — V set domains (antibody variable domain-like)

结构域编号 domain_id	d1za3h2
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.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d1za3l1
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.1.1 — Immunoglobulin
家族 Family family	b.1.1.1 — V set domains (antibody variable domain-like)

结构域编号 domain_id	d1za3l2
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.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d1za3r1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.24 — TNF receptor-like
超家族 Superfamily superfamily	g.24.1 — TNF receptor-like
家族 Family family	g.24.1.1 — TNF receptor-like

结构域编号 domain_id	d1za3r2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.24 — TNF receptor-like
超家族 Superfamily superfamily	g.24.1 — TNF receptor-like
家族 Family family	g.24.1.1 — TNF receptor-like

结构域编号 domain_id	d1za3r3
类 Class class	g — Small proteins
折叠类型 Fold fold	g.24 — TNF receptor-like
超家族 Superfamily superfamily	g.24.1 — TNF receptor-like
家族 Family family	g.24.1.1 — TNF receptor-like

结构域编号 domain_id	d1za3s1
类 Class class	g — Small proteins
折叠类型 Fold fold	g.24 — TNF receptor-like
超家族 Superfamily superfamily	g.24.1 — TNF receptor-like
家族 Family family	g.24.1.1 — TNF receptor-like

结构域编号 domain_id	d1za3s2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.24 — TNF receptor-like
超家族 Superfamily superfamily	g.24.1 — TNF receptor-like
家族 Family family	g.24.1.1 — TNF receptor-like

结构域编号 domain_id	d1za3s3
类 Class class	g — Small proteins
折叠类型 Fold fold	g.24 — TNF receptor-like
超家族 Superfamily superfamily	g.24.1 — TNF receptor-like
家族 Family family	g.24.1.1 — TNF receptor-like

CATH v4.4 (12 domains)

结构域编号 domain_id	1za3A01
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	1za3A02
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	1za3B01
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	1za3B02
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	1za3H01
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	1za3H02
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	1za3L01
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	1za3L02
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	1za3R01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	50 — Tumor Necrosis Factor Receptor, subunit A; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Tumor Necrosis Factor Receptor, subunit A, domain 2

结构域编号 domain_id	1za3R02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	50 — Tumor Necrosis Factor Receptor, subunit A; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Tumor Necrosis Factor Receptor, subunit A, domain 2

结构域编号 domain_id	1za3S01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	50 — Tumor Necrosis Factor Receptor, subunit A; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Tumor Necrosis Factor Receptor, subunit A, domain 2

结构域编号 domain_id	1za3S02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	50 — Tumor Necrosis Factor Receptor, subunit A; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Tumor Necrosis Factor Receptor, subunit A, domain 2

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7. 引用文献 (1)

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晶胞边长 a length_a	147.059 Å
晶胞边长 b length_b	147.059 Å
晶胞边长 c length_c	144.947 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	120.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 32 2 1
空间群编号 int_tables_number	154
晶系 crystal_system	—

分辨率 resolution	3.350 Å
最低分辨率 resolution_low	30.000 Å
R 因子 r_factor	0.2298
R_work r_work	0.2241
R_free r_free	0.2803

fit	/app/data/saxs_computation/za/1za3/1za3.fit
pddf	/app/data/pr_computation/za/1za3/1za3.pr.out
profile	/app/data/saxs_computation/za/1za3/1za3.dat

The crystal structure of the YSd1 Fab bound to DR5

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 (3)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 26 domains

SCOP 2.08 (14 domains)

CATH v4.4 (12 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)