2fyn

Crystal Structure Analysis of the double mutant Rhodobacter Sphaeroides bc1 complex

Method: X-RAY DIFFRACTION D_max: 246.1 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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2fyn
沉积日期 deposition_date	2006-02-08
结构标题 title	Crystal Structure Analysis of the double mutant Rhodobacter Sphaeroides bc1 complex
关键词 keywords	Transmembrane helices, functional dimer, OXIDOREDUCTASE; OXIDOREDUCTASE
实验方法 method	X-RAY DIFFRACTION

▼

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	88.73 Å
回转半径 Rg (电子) rg_electron	90.67 Å
零角强度 I(0) i0	4298890000.00
分子量 molecular_weight	589990.0 kDa
排除体积 excluded_volume	750320 Å³
包络体积 envelope_volume	1163100 Å³
水化壳体积 shell_volume	123910 Å³
包络直径 envelope_diameter	310.5 Å
壳层 Rg shell_rg	62.37 Å
包络 Rg envelope_rg	89.34 Å
形状 Rg shape_rg	90.67 Å
总 Rg total_rg	90.21 Å
总原子数 total_atoms	41688
残基数 n_residues	5178
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

▼

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	246.1 Å
Rg (实空间) rg_real	83.83 Å
Rg 误差 (实空间) rg_real_error	1.60 Å
I(0) (实空间) i0_real	4.1460e+09
I(0) 误差 (实空间) i0_real_error	9.0010e+07
Rg (倒空间) rg_reciprocal	82.02 Å
I(0) (倒空间) i0_reciprocal	4214000000.0000
解质量估计 total_estimate	0.8856
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	54.7 Å
偏度 Skewness skewness	0.505
峰度 Kurtosis kurtosis	-0.643
角度范围 angular_range	— – 0.0900 Å⁻¹
当前正则化参数 α current_alpha	0.2303
最高正则化参数 α highest_alpha	169000000.0000
实空间数据点数 n_real_points	19
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.784; Stabil: 0.961; Sysdev: 1.000; Positv: 1.000; Valcen: 0.941; Smooth: 0.340

▶

4. 晶体学与实验 4. Crystallography & Experiment

▶

5. 实体与聚合体信息 (7)

Entity 1 polymer

描述 description	Cytochrome b
分子量 formula_weight	50157.5 kDa
突变 mutation	S287R
来源方法 src_method	man
拷贝数 entity_count	6

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,D,G,J,M,P
原子数 atom_count	41688

MSGIPHDHYEPRTGIEKWLHSRLPIVALAYDTIMIPTPRNLNWMWIWGVVLAFCLVLQIVTGIVLAMHYTPHVDLAFASVEHIMRNVNGGFMLRYLHANGASLFFIAVYLHIFRGLYYGSYKAPREVTWIVGMLIYLAMMATAFMGYVLPWGQMSFWGATVITGLFGAIPGIGHSIQTWLLGGPAVDNATLNRFFSLHYLLPFVIAALVAIHIWAFHSTGNNNPTGVEVRRTSKAEAQKDTVPFWPYFIIKDVFALAVVLLVFFAIVGFMPNYLGHPDNYIEANPLRTPAHIVPEWYFLPFYAILRAFTADVWVVQIANFISFGIIDAKFFGVLAMFGAILVMALVPWLDTSPVRSGRYRPMFKIYFWLLAADFVILTWVGAQQTTFPYDWISLIASAYWFAYFLVILPILGAIEKPVAPPATIEEDFNAHYSPATGGTKTVVAE

来源 Source

来源生物 organism	Rhodobacter sphaeroides
NCBI 分类编号 ncbi_taxonomy_id	1063
宿主生物 host_organism	Rhodobacter sphaeroides

Entity 2 polymer

描述 description	Cytochrome c1
分子量 formula_weight	29374.0 kDa
来源方法 src_method	man
拷贝数 entity_count	6

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,E,H,K,N,Q

AGGGHVEDVPFSFEGPFGTFDQHQLQRGLQVYTEVCAACHGMKFVPIRSLSEPGGPELPEDQVRAYATQFTVTDEETGEDREGKPTDHFPHSALENAPDLSLMAKARAGFHGPMGTGISQLFNGIGGPEYIYSVLTGFPEEPPKCAEGHEPDGFYYNRAFQNGSVPDTCKDANGVKTTAGSWIAMPPPLMDDLVEYADGHDASVHAMAEDVSAFLMWAAEPKLMARKQAGFTAVMFLTVLSVLLYLTNKRLWAGVKGKKKTNVHHHHHH

来源 Source

来源生物 organism	Rhodobacter sphaeroides
NCBI 分类编号 ncbi_taxonomy_id	1063
宿主生物 host_organism	Rhodobacter sphaeroides

Entity 3 polymer

描述 description	Ubiquinol-cytochrome c reductase iron-sulfur subunit
分子量 formula_weight	19916.3 kDa
EC 编号 ec_number	1.10.2.2
突变 mutation	V135S
来源方法 src_method	man
拷贝数 entity_count	6

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C,F,I,L,O,R

MSNAEDHAGTRRDFLYYATAGAGAVATGAAVWPLINQMNPSADVQALASIFVDVSSVEPGVQLTVKFLGKPIFIRRRTEADIELGRSVQLGQLVDTNARNANIDAGAEATDQNRTLDEAGEWLVMWGVCTHLGCSPIGGVSGDFGGWFCPCHGSHYDSAGRIRKGPAPENLPIPLAKFIDETTIQLG

来源 Source

来源生物 organism	Rhodobacter sphaeroides
NCBI 分类编号 ncbi_taxonomy_id	1063
宿主生物 host_organism	Rhodobacter sphaeroides

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	18

Entity 5 non-polymer

描述 description	STIGMATELLIN A
分子量 formula_weight	514.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

Entity 6 non-polymer

描述 description	(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE
分子量 formula_weight	661.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

Entity 7 non-polymer

描述 description	FE2/S2 (INORGANIC) CLUSTER
分子量 formula_weight	175.8 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

▼

6. 折叠分类 (SCOP + CATH) 30 domains

CATH v4.4 (30 domains)

结构域编号 domain_id	2fynA00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	810 — Cytochrome Bc1 Complex; Chain C
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome Bc1 Complex; Chain C

结构域编号 domain_id	2fynB01
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	2fynB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	100 — Cytochrome c1, transmembrane anchor, C-terminal

结构域编号 domain_id	2fynC01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	510 — Single helix bin

结构域编号 domain_id	2fynC02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	102 — 3-layer Sandwich
拓扑 Topology topology	10 — Rieske Iron-sulfur Protein
同源超家族 H-superfamily homologous superfamily	10 — Rieske [2Fe-2S] iron-sulphur domain

结构域编号 domain_id	2fynD00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	810 — Cytochrome Bc1 Complex; Chain C
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome Bc1 Complex; Chain C

结构域编号 domain_id	2fynE01
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	2fynE02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	100 — Cytochrome c1, transmembrane anchor, C-terminal

结构域编号 domain_id	2fynF01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	510 — Single helix bin

结构域编号 domain_id	2fynF02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	102 — 3-layer Sandwich
拓扑 Topology topology	10 — Rieske Iron-sulfur Protein
同源超家族 H-superfamily homologous superfamily	10 — Rieske [2Fe-2S] iron-sulphur domain

结构域编号 domain_id	2fynG00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	810 — Cytochrome Bc1 Complex; Chain C
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome Bc1 Complex; Chain C

结构域编号 domain_id	2fynH01
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	2fynH02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	100 — Cytochrome c1, transmembrane anchor, C-terminal

结构域编号 domain_id	2fynI01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	510 — Single helix bin

结构域编号 domain_id	2fynI02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	102 — 3-layer Sandwich
拓扑 Topology topology	10 — Rieske Iron-sulfur Protein
同源超家族 H-superfamily homologous superfamily	10 — Rieske [2Fe-2S] iron-sulphur domain

结构域编号 domain_id	2fynJ00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	810 — Cytochrome Bc1 Complex; Chain C
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome Bc1 Complex; Chain C

结构域编号 domain_id	2fynK01
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	2fynK02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	100 — Cytochrome c1, transmembrane anchor, C-terminal

结构域编号 domain_id	2fynL01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	510 — Single helix bin

结构域编号 domain_id	2fynL02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	102 — 3-layer Sandwich
拓扑 Topology topology	10 — Rieske Iron-sulfur Protein
同源超家族 H-superfamily homologous superfamily	10 — Rieske [2Fe-2S] iron-sulphur domain

结构域编号 domain_id	2fynM00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	810 — Cytochrome Bc1 Complex; Chain C
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome Bc1 Complex; Chain C

结构域编号 domain_id	2fynN01
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	2fynN02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	100 — Cytochrome c1, transmembrane anchor, C-terminal

结构域编号 domain_id	2fynO01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	510 — Single helix bin

结构域编号 domain_id	2fynO02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	102 — 3-layer Sandwich
拓扑 Topology topology	10 — Rieske Iron-sulfur Protein
同源超家族 H-superfamily homologous superfamily	10 — Rieske [2Fe-2S] iron-sulphur domain

结构域编号 domain_id	2fynP00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	810 — Cytochrome Bc1 Complex; Chain C
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome Bc1 Complex; Chain C

结构域编号 domain_id	2fynQ01
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	2fynQ02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	100 — Cytochrome c1, transmembrane anchor, C-terminal

结构域编号 domain_id	2fynR01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily	510 — Single helix bin

结构域编号 domain_id	2fynR02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	102 — 3-layer Sandwich
拓扑 Topology topology	10 — Rieske Iron-sulfur Protein
同源超家族 H-superfamily homologous superfamily	10 — Rieske [2Fe-2S] iron-sulphur domain

▶

7. 引用文献 (1)

▶

晶胞边长 a length_a	351.300 Å
晶胞边长 b length_b	147.130 Å
晶胞边长 c length_c	160.830 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	103.94 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	24

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	3.200 Å
最低分辨率 resolution_low	18.000 Å
R 因子 r_factor	0.2240
R_work r_work	0.2240
R_free r_free	0.2540

fit	/app/data/saxs_computation/fy/2fyn/2fyn.fit
pddf	/app/data/pr_computation/fy/2fyn/2fyn.pr.out
profile	/app/data/saxs_computation/fy/2fyn/2fyn.dat

Crystal Structure Analysis of the double mutant Rhodobacter Sphaeroides bc1 complex

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

5. 实体与聚合体信息 (7)

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

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 non-polymer

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)