2e75

Crystal Structure of the Cytochrome b6f Complex with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO) from M.laminosus

Method: X-RAY DIFFRACTION D_max: 121.9 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

▼

1. 结构基本信息 1. Structure Basics

条目编号 entry_id	2e75
沉积日期 deposition_date	2007-01-05
结构标题 title	Crystal Structure of the Cytochrome b6f Complex with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO) from M.laminosus
关键词 keywords	photosynthesis, cytochrome F, rieske iron-sulfur protein, HEME CN; PHOTOSYNTHESIS
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	36.82 Å
回转半径 Rg (电子) rg_electron	35.51 Å
零角强度 I(0) i0	161888000.00
分子量 molecular_weight	114330.0 kDa
排除体积 excluded_volume	147990 Å³
包络体积 envelope_volume	197500 Å³
水化壳体积 shell_volume	47637 Å³
包络直径 envelope_diameter	122.6 Å
壳层 Rg shell_rg	40.72 Å
包络 Rg envelope_rg	36.16 Å
形状 Rg shape_rg	35.51 Å
总 Rg total_rg	35.94 Å
总原子数 total_atoms	8041
残基数 n_residues	959
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	121.9 Å
Rg (实空间) rg_real	36.87 Å
Rg 误差 (实空间) rg_real_error	0.87 Å
I(0) (实空间) i0_real	1.6190e+08
I(0) 误差 (实空间) i0_real_error	2.2910e+06
Rg (倒空间) rg_reciprocal	36.85 Å
I(0) (倒空间) i0_reciprocal	161900000.0000
解质量估计 total_estimate	0.6911
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	39.7 Å
偏度 Skewness skewness	0.302
峰度 Kurtosis kurtosis	-0.501
角度范围 angular_range	— – 0.2150 Å⁻¹
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	14220000.0000
实空间数据点数 n_real_points	44
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 0.159; Positv: 1.000; Valcen: 0.944; Smooth: 0.799

▶

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

▶

5. 实体与聚合体信息 (19)

Entity 1 polymer

描述 description	Cytochrome b6
分子量 formula_weight	24245.5 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	8046

MANVYDWFQERLEIQALADDVTSKYVPPHVNIFYCLGGITLTCFLIQFATGFAMTFYYKPTVTEAYASVQYIMNEVSFGWLIRSIHRWSASMMVLMMILHVFRVYLTGGFKKPRELTWISGVILAVITVSFGVTGYSLPWDQVGYWAVKIVSGVPEAIPVVGVLISDLLRGGSSVGQATLTRYYSAHTFVLPWLIAVFMLLHFLMIRKQGISGPL

Entity 2 polymer

描述 description	Cytochrome b6-f complex subunit 4
分子量 formula_weight	17687.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B

MATLKKPDLSDPKLRAKLAKGMGHNYYGEPAWPNDLLYVFPVVIMGTFACIVALSVLDPAMVGEPADPFATPLEILPEWYLYPVFQILRSVPNKLLGVLLMASVPLGLILVPFIENVNKFQNPFRRPVATTIFLFGTLVTIWLGIGATFPLDKTLTLGLF

Entity 3 polymer

描述 description	Apocytochrome f
分子量 formula_weight	31655.1 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	C

YPFWAQQTYPPTPREPTGRIVCANCHLAAKPAEVEVPQSVLPDTVFKAVVKIPYDTKLQQVAADGSKVGLNVGAVLMLPEGFKIAPEERIPEELKKEVGDVYFQPYKEGQDNVLLVGPLPGEQYQEIVFPVLSPNPTTDKNIHFGKYAIHLGANRGRGQIYPTGEKSNNNVFTASATGTITKIAKEEDEYGNVKYQVSIQTDSGKTVVDTIPAGPELIVSEGQAVKAGEALTNNPNVGGFGQDDTEIVLQDPNRVKWMIAFICLVMLAQLMLILKKKQVEKVQAAEMNF

Entity 4 polymer

描述 description	Cytochrome b6-f complex iron-sulfur subunit
分子量 formula_weight	19422.2 kDa
EC 编号 ec_number	1.10.99.1
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	D

MAQFTESMDVPDMGRRQFMNLLAFGTVTGVALGALYPLVKYFIPPSGGAVGGGTTAKDKLGNNVKVSKFLESHNAGDRVLVQGLKGDPTYIVVESKEAIRDYGINAVCTHLGCVVPWNAAENKFKCPCHGSQYDETGKVIRGPAPLSLALCHATVQDDNIVLTPWTETDFRTGEKPWWV

Entity 5 polymer

描述 description	Cytochrome b6-f complex subunit 6
分子量 formula_weight	3504.4 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	E

MILGAVFYIVFIALFFGIAVGIIFAIKSIKLI

Entity 6 polymer

描述 description	Cytochrome b6-f complex subunit 7
分子量 formula_weight	3843.6 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	F

MTEEMLYAALLSFGLIFVGWGLGVLLLKIQGAEKE

Entity 7 polymer

描述 description	Cytochrome b6-f complex subunit 5
分子量 formula_weight	4016.7 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	G

MVEPLLDGLVLGLVFATLGGLFYAAYQQYKRPNELGG

Entity 8 polymer

描述 description	Cytochrome b6-f complex subunit 8
分子量 formula_weight	3276.9 kDa
来源方法 src_method	nat
拷贝数 entity_count	1

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	H

MEIDVLGWVALLVVFTWSIAMVVWGRNGL

Entity 9 non-polymer

描述 description	CADMIUM ION
分子量 formula_weight	112.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 10 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	3

Entity 11 non-polymer

描述 description	HEME C
分子量 formula_weight	618.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 12 non-polymer

描述 description	(7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE
分子量 formula_weight	801.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 13 non-polymer

描述 description	UNDECYL-MALTOSIDE
分子量 formula_weight	496.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 14 non-polymer

描述 description	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE
分子量 formula_weight	287.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 15 non-polymer

描述 description	CHLOROPHYLL A
分子量 formula_weight	893.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 16 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	1

Entity 17 non-polymer

描述 description	1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL
分子量 formula_weight	795.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 18 non-polymer

描述 description	BETA-CAROTENE
分子量 formula_weight	536.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 19 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	5

▼

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d2e75a1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.21 — Heme-binding four-helical bundle
超家族 Superfamily superfamily	f.21.1 — Transmembrane di-heme cytochromes
家族 Family family	f.21.1.2 — Cytochrome b of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)

结构域编号 domain_id	d2e75b1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.32 — a domain/subunit of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
超家族 Superfamily superfamily	f.32.1 — a domain/subunit of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
家族 Family family	f.32.1.1 — a domain/subunit of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)

结构域编号 domain_id	d2e75d1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.33 — ISP domain
超家族 Superfamily superfamily	b.33.1 — ISP domain
家族 Family family	b.33.1.1 — Rieske iron-sulfur protein (ISP)

结构域编号 domain_id	d2e75d2
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.23 — Single transmembrane helix
超家族 Superfamily superfamily	f.23.12 — ISP transmembrane anchor
家族 Family family	f.23.12.1 — ISP transmembrane anchor

结构域编号 domain_id	d2e75e1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.23 — Single transmembrane helix
超家族 Superfamily superfamily	f.23.24 — PetL subunit of the cytochrome b6f complex
家族 Family family	f.23.24.1 — PetL subunit of the cytochrome b6f complex

结构域编号 domain_id	d2e75f1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.23 — Single transmembrane helix
超家族 Superfamily superfamily	f.23.25 — PetM subunit of the cytochrome b6f complex
家族 Family family	f.23.25.1 — PetM subunit of the cytochrome b6f complex

结构域编号 domain_id	d2e75g1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.23 — Single transmembrane helix
超家族 Superfamily superfamily	f.23.26 — PetG subunit of the cytochrome b6f complex
家族 Family family	f.23.26.1 — PetG subunit of the cytochrome b6f complex

结构域编号 domain_id	d2e75h1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.23 — Single transmembrane helix
超家族 Superfamily superfamily	f.23.27 — PetN subunit of the cytochrome b6f complex
家族 Family family	f.23.27.1 — PetN subunit of the cytochrome b6f complex

CATH v4.4 (8 domains)

结构域编号 domain_id	2e75A00
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	2e75B01
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	2e75B02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily	980 — plastocyanin oxidoreductase

结构域编号 domain_id	2e75C01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	830 — Cytochrome f large domain

结构域编号 domain_id	2e75C02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	40 — Beta Barrel
拓扑 Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily	100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain

结构域编号 domain_id	2e75C03
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	700 — Single helix bin

结构域编号 domain_id	2e75D01
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	700 — Single helix bin

结构域编号 domain_id	2e75D02
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	159.164 Å
晶胞边长 b length_b	159.164 Å
晶胞边长 c length_c	362.269 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 61 2 2
空间群编号 int_tables_number	178
晶系 crystal_system	—

分辨率 resolution	3.550 Å
最低分辨率 resolution_low	49.940 Å
R 因子 r_factor	0.2040
R_work r_work	0.2007
R_free r_free	0.2671

fit	/app/data/saxs_computation/e7/2e75/2e75.fit
pddf	/app/data/pr_computation/e7/2e75/2e75.pr.out
profile	/app/data/saxs_computation/e7/2e75/2e75.dat

Crystal Structure of the Cytochrome b6f Complex with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO) from M.laminosus

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 (19)

Entity 1 polymer

聚合体 Polymer

Entity 2 polymer

聚合体 Polymer

Entity 3 polymer

聚合体 Polymer

Entity 4 polymer

聚合体 Polymer

Entity 5 polymer

聚合体 Polymer

Entity 6 polymer

聚合体 Polymer

Entity 7 polymer

聚合体 Polymer

Entity 8 polymer

聚合体 Polymer

Entity 9 non-polymer

Entity 10 non-polymer

Entity 11 non-polymer

Entity 12 non-polymer

Entity 13 non-polymer

Entity 14 non-polymer

Entity 15 non-polymer

Entity 16 non-polymer

Entity 17 non-polymer

Entity 18 non-polymer

Entity 19 water

6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)