2c6s

human adenovirus penton base 2 12 chimera

Method: X-RAY DIFFRACTION D_max: 206.2 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	2c6s
沉积日期 deposition_date	2005-11-11
结构标题 title	human adenovirus penton base 2 12 chimera
关键词 keywords	VIRUS/VIRAL PROTEIN, ADENOVIRUS, CAPSID, PENTON, DODECAHEDRA, FIBER, VIRAL PROTEIN, VIRUS-VIRAL PROTEIN complex; VIRUS/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	76.47 Å
回转半径 Rg (电子) rg_electron	77.31 Å
零角强度 I(0) i0	7887360000.00
分子量 molecular_weight	751460.0 kDa
排除体积 excluded_volume	938740 Å³
包络体积 envelope_volume	1385500 Å³
水化壳体积 shell_volume	150590 Å³
包络直径 envelope_diameter	271.5 Å
壳层 Rg shell_rg	72.42 Å
包络 Rg envelope_rg	76.23 Å
形状 Rg shape_rg	77.29 Å
总 Rg total_rg	77.29 Å
总原子数 total_atoms	53010
残基数 n_residues	6660
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	206.2 Å
Rg (实空间) rg_real	74.22 Å
Rg 误差 (实空间) rg_real_error	0.84 Å
I(0) (实空间) i0_real	7.7160e+09
I(0) 误差 (实空间) i0_real_error	1.6090e+08
Rg (倒空间) rg_reciprocal	75.16 Å
I(0) (倒空间) i0_reciprocal	7860000000.0000
解质量估计 total_estimate	0.8670
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	61.9 Å
偏度 Skewness skewness	0.286
峰度 Kurtosis kurtosis	-0.761
角度范围 angular_range	— – 0.1000 Å⁻¹
当前正则化参数 α current_alpha	0.1418
最高正则化参数 α highest_alpha	1640000000.0000
实空间数据点数 n_real_points	21
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.965; Stabil: 0.989; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.004

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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 (1)

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6. 折叠分类 (SCOP + CATH) 30 domains

CATH v4.4 (30 domains)

结构域编号 domain_id	2c6sA01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sB01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sC01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sD01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sD02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sE01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sF01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sF02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sG01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sG02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sH01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sH02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sI01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sI02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sJ01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sJ02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sK01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sK02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sL01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sL02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sM01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sM02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sN01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sN02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

结构域编号 domain_id	2c6sO01
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	550 — Penton protein; domain 1

结构域编号 domain_id	2c6sO02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	1620 — adenovirus 2 penton base, domain 2
同源超家族 H-superfamily homologous superfamily	10 — adenovirus 2 penton base, domain 2

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7. 引用文献 (1)

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晶胞边长 a length_a	266.500 Å
晶胞边长 b length_b	292.900 Å
晶胞边长 c length_c	307.300 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	120

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	3.600 Å
最低分辨率 resolution_low	15.000 Å
R 因子 r_factor	0.2760
R_work r_work	0.2750
R_free r_free	0.3400

描述 description	ADENOVIRUS 2,12 PENTON BASE CHIMERA
分子量 formula_weight	58202.7 kDa
来源方法 src_method	man
拷贝数 entity_count	15

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O
原子数 atom_count	53010

human adenovirus penton base 2 12 chimera

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 (1)

Entity 1 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 30 domains

CATH v4.4 (30 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	HUMAN ADENOVIRUS C
NCBI 分类编号 ncbi_taxonomy_id	10515
宿主生物 host_organism	TRICHOPLUSIA NI

fit	/app/data/saxs_computation/c6/2c6s/2c6s.fit
pddf	/app/data/pr_computation/c6/2c6s/2c6s.pr.out
profile	/app/data/saxs_computation/c6/2c6s/2c6s.dat