SAXSdb — 2b10

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2b10
沉积日期 deposition_date	2005-09-15
结构标题 title	Crystal Structure of the Protein-Protein Complex between F82S cytochrome c and cytochrome c peroxidase
关键词 keywords	cytochrome, electron transfer, OXIDOREDUCTASE-ELECTRON TRANSPORT COMPLEX; OXIDOREDUCTASE/ELECTRON TRANSPORT
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	30.66 Å
回转半径 Rg (电子) rg_electron	29.74 Å
零角强度 I(0) i0	138655000.00
分子量 molecular_weight	93407.0 kDa
排除体积 excluded_volume	116610 Å³
包络体积 envelope_volume	141730 Å³
水化壳体积 shell_volume	39448 Å³
包络直径 envelope_diameter	97.4 Å
壳层 Rg shell_rg	37.21 Å
包络 Rg envelope_rg	29.70 Å
形状 Rg shape_rg	29.74 Å
总 Rg total_rg	30.41 Å
总原子数 total_atoms	6596
残基数 n_residues	804
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	98.9 Å
Rg (实空间) rg_real	30.60 Å
Rg 误差 (实空间) rg_real_error	0.68 Å
I(0) (实空间) i0_real	1.3870e+08
I(0) 误差 (实空间) i0_real_error	2.1070e+06
Rg (倒空间) rg_reciprocal	30.63 Å
I(0) (倒空间) i0_reciprocal	138700000.0000
解质量估计 total_estimate	0.9018
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	36.1 Å
偏度 Skewness skewness	0.262
峰度 Kurtosis kurtosis	-0.497
角度范围 angular_range	— – 0.2600 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	32840000.0000
实空间数据点数 n_real_points	53
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.961

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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 (5)

Entity 1 polymer

描述 description	Cytochrome c peroxidase, mitochondrial
分子量 formula_weight	33571.2 kDa
EC 编号 ec_number	1.11.1.5
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,C
原子数 atom_count	6619

TTPLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHTSGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDADYVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPWGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL

来源 Source

来源生物 organism	Saccharomyces cerevisiae
通用名 common_name	;baker's yeast ;
NCBI 分类编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	Cytochrome c iso-1
分子量 formula_weight	12013.7 kDa
突变 mutation	F82S
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,D

TEFKAGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSGQAEGYSYTDANIKKNVLWDENNMSEYLTNPKKYIPGTKMASGGLKKEKDRNDLITYLKKACE

来源 Source

来源生物 organism	Saccharomyces cerevisiae
通用名 common_name	;baker's yeast ;
NCBI 分类编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	Escherichia coli

Entity 3 non-polymer

描述 description	PROTOPORPHYRIN IX CONTAINING ZN
分子量 formula_weight	626.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 4 non-polymer

描述 description	PROTOPORPHYRIN IX CONTAINING FE
分子量 formula_weight	616.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 5 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	23

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6. 折叠分类 (SCOP + CATH) 10 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d2b10a_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.93 — Heme-dependent peroxidases
超家族 Superfamily superfamily	a.93.1 — Heme-dependent peroxidases
家族 Family family	a.93.1.1 — CCP-like

结构域编号 domain_id	d2b10b1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.3 — Cytochrome c
超家族 Superfamily superfamily	a.3.1 — Cytochrome c
家族 Family family	a.3.1.1 — monodomain cytochrome c

结构域编号 domain_id	d2b10c_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.93 — Heme-dependent peroxidases
超家族 Superfamily superfamily	a.93.1 — Heme-dependent peroxidases
家族 Family family	a.93.1.1 — CCP-like

结构域编号 domain_id	d2b10d_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.3 — Cytochrome c
超家族 Superfamily superfamily	a.3.1 — Cytochrome c
家族 Family family	a.3.1.1 — monodomain cytochrome c

CATH v4.4 (6 domains)

结构域编号 domain_id	2b10A01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	520 — Peroxidase; domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	2b10A02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	420 — Peroxidase; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Peroxidase, domain 2

结构域编号 domain_id	2b10B00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	760 — Cytochrome Bc1 Complex; Chain D, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome c-like domain

结构域编号 domain_id	2b10C01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	520 — Peroxidase; domain 1
同源超家族 H-superfamily homologous superfamily	10 —

结构域编号 domain_id	2b10C02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	420 — Peroxidase; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Peroxidase, domain 2

结构域编号 domain_id	2b10D00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	760 — Cytochrome Bc1 Complex; Chain D, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome c-like domain

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7. 引用文献 (1)

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晶胞边长 a length_a	44.575 Å
晶胞边长 b length_b	113.448 Å
晶胞边长 c length_c	88.002 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	104.55 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	0.2850
R_work r_work	0.2840
R_free r_free	0.3060

fit	/app/data/saxs_computation/b1/2b10/2b10.fit
pddf	/app/data/pr_computation/b1/2b10/2b10.pr.out
profile	/app/data/saxs_computation/b1/2b10/2b10.dat

Crystal Structure of the Protein-Protein Complex between F82S cytochrome c and cytochrome c peroxidase

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 (5)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. 折叠分类 (SCOP + CATH) 10 domains

SCOP 2.08 (4 domains)

CATH v4.4 (6 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)