1yq4

Avian respiratory complex ii with 3-nitropropionate and ubiquinone

Method: X-RAY DIFFRACTION D_max: 123.9 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	1yq4
沉积日期 deposition_date	2005-02-01
结构标题 title	Avian respiratory complex ii with 3-nitropropionate and ubiquinone
关键词 keywords	;COMPLEX II, MEMBRANE PROTEIN, HEME PROTEIN, IRON SULFUR PROTEIN, CYTOCHROME B, OXIDOREDUCTASE, REDOX ENZYME, RESPIRATORY CHAIN, OXALOACETATE NITROPROPIONATE UBIQUINONE ;; 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	32.21 Å
回转半径 Rg (电子) rg_electron	32.95 Å
零角强度 I(0) i0	242372000.00
分子量 molecular_weight	124650.0 kDa
排除体积 excluded_volume	155610 Å³
包络体积 envelope_volume	183160 Å³
水化壳体积 shell_volume	46659 Å³
包络直径 envelope_diameter	131.8 Å
壳层 Rg shell_rg	39.12 Å
包络 Rg envelope_rg	33.94 Å
形状 Rg shape_rg	33.05 Å
总 Rg total_rg	33.05 Å
总原子数 total_atoms	8716
残基数 n_residues	1098
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	123.9 Å
Rg (实空间) rg_real	32.48 Å
Rg 误差 (实空间) rg_real_error	1.07 Å
I(0) (实空间) i0_real	2.4240e+08
I(0) 误差 (实空间) i0_real_error	4.1950e+06
Rg (倒空间) rg_reciprocal	32.36 Å
I(0) (倒空间) i0_reciprocal	242300000.0000
解质量估计 total_estimate	0.7830
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	35.4 Å
偏度 Skewness skewness	0.699
峰度 Kurtosis kurtosis	0.420
角度范围 angular_range	— – 0.2450 Å⁻¹
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	73560000.0000
实空间数据点数 n_real_points	50
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.447; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.839; Smooth: 0.994

▶

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

▶

5. 实体与聚合体信息 (15)

Entity 1 polymer

描述 description	Succinate dehydrogenase flavoprotein subunit
分子量 formula_weight	68256.9 kDa
EC 编号 ec_number	1.3.5.1
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	A
原子数 atom_count	9291

STKVSDSISTQYPVVDHEFDAVVVGAGGAGLRAAFGLSEAGFNTACVTKLFPTRSHTVAAQGGINAALGNMEDDNWRWHFYDTVKGSDWLGDQDAIHYMTEQAPAAVIELENYGMPFSRTEEGKIYQRAFGGQSLQFGKGGQAHRCCCVADRTGHSLLHTLYGRSLRYDTSYFVEYFALDLLMENGECRGVIALCIEDGTIHRFRAKNTVIATGGYGRTYFSCTSAHTSTGDGTAMVTRAGLPCQDLEFVQFHPTGIYGAGCLITEGCRGEGGILINSQGERFMERYAPVAKDLASRDVVSRSMTIEIREGRGCGPEKDHVYLQLHHLPPQQLATRLPGISETAMIFAGVDVTKEPIPVLPTVHYNMGGIPTNYKGQVITHVNGEDKVVPGLYACGEAASASVHGANRLGANSLLDLVVFGRACALTIAETCKPGEPVPSIKPNAGEESVANLDKLRFADGTIRTSEARLNMQKTMQSHAAVFRTGSILQEGCEKLSQIYRDLAHLKTFDRGIVWNTDLVETLELQNLMLCALQTIYGAEARKESRGAHAREDYKLRIDEFDYSKPLQGQQKRPFEEHWRKHTLSYVDVKSGKVTLKYRPVIDRTLNEEDCSSVPPAIRSY

Entity 2 polymer

描述 description	succinate dehydrogenase Ip subunit
分子量 formula_weight	28685.2 kDa
EC 编号 ec_number	1.3.5.1
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	B

AQTAAAATSRIKKFSIYRWDPDKPGDKPRMQTYEVDLNKCGPMVLDALIKIKNELDSTLTFRRSCREGICGSCAMNIAGGNTLACTKKIDPDLSKTTKIYPLPHMYVVKDLVPDLSNFYAQYKSIEPYLKKKDESKQGKEQYLQSIEDRQKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDYTEERLAQLQDPFSLYRCHTIMNCTRTCPKGLNPGKAIAEIKKMMATYKEKAAAA

Entity 3 polymer

描述 description	SUCCINATE DEHYDROGENASE CYTOCHROME B, LARGE SUBUNIT
分子量 formula_weight	15433.1 kDa
EC 编号 ec_number	1.3.5.1
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	C

MATTAKEEMARFWEKNTKSSRPLSPHISIYKWSLPMAMSITHRGTGVALSLGVSLFSLAALLLPEQFPHYVAVVKSLSLSPALIYSAKFALVFPLSYHTWNGIRHLVWDMGKGFKLSQVEQSGVVVLILTLLSSAGIAAIS

Entity 4 polymer

描述 description	SUCCINATE DEHYDROGENASE CYTOCHROME B, SMALL SUBUNIT
分子量 formula_weight	10971.6 kDa
EC 编号 ec_number	1.3.5.1
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

GSSKAASLHWTSERAVSALLLGLLPAAYLYPGPAVDYSLAAALTLHGHWGLGQVITDYVHGDTPIKVANTGLYVLSAITFTGLCYFNYYDVGICKAVAMLWSI

Entity 5 non-polymer

描述 description	FLAVIN-ADENINE DINUCLEOTIDE
分子量 formula_weight	785.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 6 non-polymer

描述 description	3-NITROPROPANOIC ACID
分子量 formula_weight	119.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

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	1

Entity 8 non-polymer

描述 description	IRON/SULFUR CLUSTER
分子量 formula_weight	351.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 9 non-polymer

描述 description	FE3-S4 CLUSTER
分子量 formula_weight	295.8 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 10 non-polymer

描述 description	GLYCEROL
分子量 formula_weight	92.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 11 non-polymer

描述 description	hexyl beta-D-glucopyranoside
分子量 formula_weight	264.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 12 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	1

Entity 13 non-polymer

描述 description	Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer
分子量 formula_weight	863.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 14 non-polymer

描述 description	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
分子量 formula_weight	744.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

Entity 15 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	575

▼

6. 折叠分类 (SCOP + CATH) 13 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d1yq4b1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.15 — beta-Grasp (ubiquitin-like)
超家族 Superfamily superfamily	d.15.4 — 2Fe-2S ferredoxin-like
家族 Family family	d.15.4.2 — 2Fe-2S ferredoxin domains from multidomain proteins

结构域编号 domain_id	d1yq4b2
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.1 — Globin-like
超家族 Superfamily superfamily	a.1.2 — alpha-helical ferredoxin
家族 Family family	a.1.2.1 — Fumarate reductase/Succinate dehydogenase iron-sulfur protein, C-terminal domain

结构域编号 domain_id	d1yq4c_
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.21.2 — Fumarate reductase respiratory complex transmembrane subunits
家族 Family family	f.21.2.2 — Succinate dehydrogenase/Fumarate reductase transmembrane subunits (SdhC/FrdC and SdhD/FrdD)

结构域编号 domain_id	d1yq4d_
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.21.2 — Fumarate reductase respiratory complex transmembrane subunits
家族 Family family	f.21.2.2 — Succinate dehydrogenase/Fumarate reductase transmembrane subunits (SdhC/FrdC and SdhD/FrdD)

CATH v4.4 (9 domains)

结构域编号 domain_id	1yq4A01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	50 — 3-Layer(bba) Sandwich
拓扑 Topology topology	50 — FAD/NAD(P)-binding domain
同源超家族 H-superfamily homologous superfamily	60 — FAD/NAD(P)-binding domain

结构域编号 domain_id	1yq4A02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	700 — Flavocytochrome C3; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Succinate dehydrogenase/fumarate reductase flavoprotein, catalytic domain

结构域编号 domain_id	1yq4A03
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	100 — Fumarate reductase/succinate dehydrogenase flavoprotein-like, C-terminal domain

结构域编号 domain_id	1yq4A04
类 Class class	4 — Few Secondary Structures
架构 Architecture architecture	10 — Irregular
拓扑 Topology topology	80 — Rhinovirus 14, subunit 4
同源超家族 H-superfamily homologous superfamily	40 — succinate dehydrogenase protein domain

结构域编号 domain_id	1yq4B01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	10 — Roll
拓扑 Topology topology	20 — Ubiquitin-like (UB roll)
同源超家族 H-superfamily homologous superfamily	30 — Beta-grasp domain

结构域编号 domain_id	1yq4B02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1060 — Fumarate Reductase Iron-sulfur Protein; Chain B, domain 2
同源超家族 H-superfamily homologous superfamily	10 — Alpha-helical ferredoxin

结构域编号 domain_id	1yq4C01
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	540 — Single helix bin

结构域编号 domain_id	1yq4C02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1300 — 3 helical TM bundles of succinate and fumarate reductases
同源超家族 H-superfamily homologous superfamily	10 — Fumarate reductase/succinate dehydrogenase, transmembrane subunit

结构域编号 domain_id	1yq4D00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1300 — 3 helical TM bundles of succinate and fumarate reductases
同源超家族 H-superfamily homologous superfamily	10 — Fumarate reductase/succinate dehydrogenase, transmembrane subunit

▶

7. 引用文献 (3)

▶

晶胞边长 a length_a	69.586 Å
晶胞边长 b length_b	83.487 Å
晶胞边长 c length_c	288.590 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	4

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	2.330 Å
最低分辨率 resolution_low	56.380 Å
R 因子 r_factor	0.2020
R_work r_work	0.2020
R_free r_free	0.2520

fit	/app/data/saxs_computation/yq/1yq4/1yq4.fit
pddf	/app/data/pr_computation/yq/1yq4/1yq4.pr.out
profile	/app/data/saxs_computation/yq/1yq4/1yq4.dat

Avian respiratory complex ii with 3-nitropropionate and ubiquinone

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 (15)

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 non-polymer

Entity 6 non-polymer

Entity 7 non-polymer

Entity 8 non-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 water

6. 折叠分类 (SCOP + CATH) 13 domains

SCOP 2.08 (4 domains)

CATH v4.4 (9 domains)

7. 引用文献 (3)

8. 文件与曲线 (10)

Files (7)

Curves (3)