2bt8

Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, space group P6322.

Method: X-RAY DIFFRACTION D_max: 83.0 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	2bt8
沉积日期 deposition_date	2005-05-26
结构标题 title	Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, space group P6322.
关键词 keywords	ORTHOREOVIRUS, TRIPLE BETA-SPIRAL, BETA-BARREL, VIRAL PROTEIN; VIRAL 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	20.69 Å
回转半径 Rg (电子) rg_electron	20.39 Å
零角强度 I(0) i0	6564020.00
分子量 molecular_weight	17958.0 kDa
排除体积 excluded_volume	22101 Å³
包络体积 envelope_volume	28085 Å³
水化壳体积 shell_volume	13404 Å³
包络直径 envelope_diameter	84.5 Å
壳层 Rg shell_rg	24.06 Å
包络 Rg envelope_rg	22.04 Å
形状 Rg shape_rg	20.38 Å
总 Rg total_rg	20.99 Å
总原子数 total_atoms	1260
残基数 n_residues	167
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	83.0 Å
Rg (实空间) rg_real	21.17 Å
Rg 误差 (实空间) rg_real_error	0.89 Å
I(0) (实空间) i0_real	6.5640e+06
I(0) 误差 (实空间) i0_real_error	9.0580e+04
Rg (倒空间) rg_reciprocal	21.08 Å
I(0) (倒空间) i0_reciprocal	6564000.0000
解质量估计 total_estimate	0.5415
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	19.2 Å
偏度 Skewness skewness	0.894
峰度 Kurtosis kurtosis	0.519
角度范围 angular_range	— – 0.3850 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	1012000.0000
实空间数据点数 n_real_points	70
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.241; Stabil: 1.000; Sysdev: 0.387; Positv: 1.000; Valcen: 0.176; Smooth: 0.975

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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)

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6. 折叠分类 (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

结构域编号 domain_id	2bt8A01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	10 — Ribbon
拓扑 Topology topology	25 — Laminin
同源超家族 H-superfamily homologous superfamily	20 — reovirus attachment protein sigma1; domain 1

结构域编号 domain_id	2bt8A02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	90 — Adenovirus Type 5 Fiber Protein (Receptor Binding Domain)
同源超家族 H-superfamily homologous superfamily	40 —

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7. 引用文献 (6)

Structure of the Carboxy-Terminal Receptor-Binding Domain of Avian Reovirus Fibre Sigmac

J.Mol.Biol. (2005)

PMID: 16236316 · DOI: 10.1016/J.JMB.2005.09.034 PRIMARY

Crystal Structure of Reovirus Attachment Protein Sigma1 Reveals Evolutionary Relationship to Adenovirus Fiber

Embo J. (2002)

PMID: 11782420 · DOI: 10.1093/EMBOJ/21.1.1

Subunit Composition and Conformational Stability of the Oligomeric Form of the Avian Reovirus Cell-Attachment Protein Sigmac

J.Gen.Virol. (2002)

PMID: 11752709 · DOI: 10.1099/0022-1317-83-1-131

;The Avian Reovirus Genome Segment S1 is a Functionally Tricistronic Gene that Expresses One Structure and Two Nonstructural Proteins in Infected Cells ;

Virology (2001)

PMID: 11883183 · DOI: 10.1006/VIRO.2001.1159

Oligomerization and Cell-Binding Properties of the Avian Reovirus Cell-Attachment Protein Sigmac

Virology (2000)

PMID: 10964779 · DOI: 10.1006/VIRO.2000.0473

Protein Architecture of Avian Reovirus S1133 and Identification of the Cell Attachment Protein

J.Virol. (1997)

PMID: 8985323

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晶胞边长 a length_a	75.598 Å
晶胞边长 b length_b	75.598 Å
晶胞边长 c length_c	243.139 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 63 2 2
空间群编号 int_tables_number	182
晶系 crystal_system	—

分辨率 resolution	3.000 Å
最低分辨率 resolution_low	121.270 Å
R 因子 r_factor	0.2030
R_work r_work	0.1980
R_free r_free	0.2490

描述 description	SIGMA C
分子量 formula_weight	18324.3 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	1304

Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, space group P6322.

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 (2)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 water

6. 折叠分类 (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

7. 引用文献 (6)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	AVIAN ORTHOREOVIRUS
NCBI 分类编号 ncbi_taxonomy_id	38170
宿主生物 host_organism	ESCHERICHIA COLI BL21(DE3)

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	44

fit	/app/data/saxs_computation/bt/2bt8/2bt8.fit
pddf	/app/data/pr_computation/bt/2bt8/2bt8.pr.out
profile	/app/data/saxs_computation/bt/2bt8/2bt8.dat