1hci

CRYSTAL STRUCTURE OF THE ROD DOMAIN OF ALPHA-ACTININ

Method: X-RAY DIFFRACTION D_max: 223.6 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	1hci
沉积日期 deposition_date	2001-05-04
结构标题 title	CRYSTAL STRUCTURE OF THE ROD DOMAIN OF ALPHA-ACTININ
关键词 keywords	TRIPLE-HELIX COILED COIL, CONTRACTILE PROTEIN, MUSCLE, Z-LINE, ACTIN-BINDING PROTEIN; TRIPLE-HELIX COILED COIL
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	70.35 Å
回转半径 Rg (电子) rg_electron	72.43 Å
零角强度 I(0) i0	196742000.00
分子量 molecular_weight	112120.0 kDa
排除体积 excluded_volume	138890 Å³
包络体积 envelope_volume	207300 Å³
水化壳体积 shell_volume	32496 Å³
包络直径 envelope_diameter	262.9 Å
壳层 Rg shell_rg	43.67 Å
包络 Rg envelope_rg	72.39 Å
形状 Rg shape_rg	72.38 Å
总 Rg total_rg	71.69 Å
总原子数 total_atoms	7884
残基数 n_residues	950
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	223.6 Å
Rg (实空间) rg_real	70.54 Å
Rg 误差 (实空间) rg_real_error	2.53 Å
I(0) (实空间) i0_real	1.9590e+08
I(0) 误差 (实空间) i0_real_error	4.1870e+06
Rg (倒空间) rg_reciprocal	66.03 Å
I(0) (倒空间) i0_reciprocal	194700000.0000
解质量估计 total_estimate	0.6526
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	30.5 Å
偏度 Skewness skewness	0.608
峰度 Kurtosis kurtosis	-0.577
角度范围 angular_range	— – 0.1100 Å⁻¹
当前正则化参数 α current_alpha	0.0066
最高正则化参数 α highest_alpha	5189000.0000
实空间数据点数 n_real_points	23
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.189; Stabil: 0.987; Sysdev: 1.000; Positv: 1.000; Valcen: 0.247; Smooth: 0.693

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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) 18 domains

SCOP 2.08 (10 domains)

结构域编号 domain_id	d1hcia1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.7 — Spectrin repeat-like
超家族 Superfamily superfamily	a.7.1 — Spectrin repeat
家族 Family family	a.7.1.1 — Spectrin repeat

结构域编号 domain_id	d1hcia2
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.7 — Spectrin repeat-like
超家族 Superfamily superfamily	a.7.1 — Spectrin repeat
家族 Family family	a.7.1.1 — Spectrin repeat

结构域编号 domain_id	d1hcia3
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.7 — Spectrin repeat-like
超家族 Superfamily superfamily	a.7.1 — Spectrin repeat
家族 Family family	a.7.1.1 — Spectrin repeat

结构域编号 domain_id	d1hcia4
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.7 — Spectrin repeat-like
超家族 Superfamily superfamily	a.7.1 — Spectrin repeat
家族 Family family	a.7.1.1 — Spectrin repeat

结构域编号 domain_id	d1hcia5
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d1hcib1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.7 — Spectrin repeat-like
超家族 Superfamily superfamily	a.7.1 — Spectrin repeat
家族 Family family	a.7.1.1 — Spectrin repeat

结构域编号 domain_id	d1hcib2
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.7 — Spectrin repeat-like
超家族 Superfamily superfamily	a.7.1 — Spectrin repeat
家族 Family family	a.7.1.1 — Spectrin repeat

结构域编号 domain_id	d1hcib3
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.7 — Spectrin repeat-like
超家族 Superfamily superfamily	a.7.1 — Spectrin repeat
家族 Family family	a.7.1.1 — Spectrin repeat

结构域编号 domain_id	d1hcib4
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.7 — Spectrin repeat-like
超家族 Superfamily superfamily	a.7.1 — Spectrin repeat
家族 Family family	a.7.1.1 — Spectrin repeat

结构域编号 domain_id	d1hcib5
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

CATH v4.4 (8 domains)

结构域编号 domain_id	1hciA01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

结构域编号 domain_id	1hciA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

结构域编号 domain_id	1hciA03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

结构域编号 domain_id	1hciA04
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

结构域编号 domain_id	1hciB01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

结构域编号 domain_id	1hciB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

结构域编号 domain_id	1hciB03
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

结构域编号 domain_id	1hciB04
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	60 —

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7. 引用文献 (1)

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晶胞边长 a length_a	103.280 Å
晶胞边长 b length_b	103.280 Å
晶胞边长 c length_c	218.640 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	6

空间群 space_group	P 31
空间群编号 int_tables_number	144
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	82.780 Å
R 因子 r_factor	0.2700
R_work r_work	0.2700
R_free r_free	0.2950

描述 description	ALPHA-ACTININ 2
分子量 formula_weight	56211.3 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	7900

CRYSTAL STRUCTURE OF THE ROD DOMAIN OF ALPHA-ACTININ

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) 18 domains

SCOP 2.08 (10 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)

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	ESCHERICHIA COLI

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	16

fit	/app/data/saxs_computation/hc/1hci/1hci.fit
pddf	/app/data/pr_computation/hc/1hci/1hci.pr.out
profile	/app/data/saxs_computation/hc/1hci/1hci.dat