1hr9

Yeast Mitochondrial Processing Peptidase beta-E73Q Mutant Complexed with Malate Dehydrogenase Signal Peptide

Method: X-RAY DIFFRACTION D_max: 167.0 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

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1hr9
沉积日期 deposition_date	2000-12-21
结构标题 title	Yeast Mitochondrial Processing Peptidase beta-E73Q Mutant Complexed with Malate Dehydrogenase Signal Peptide
关键词 keywords	HxxEH zinc-binding motif, HYDROLASE; HYDROLASE
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	55.66 Å
回转半径 Rg (电子) rg_electron	55.25 Å
零角强度 I(0) i0	2244890000.00
分子量 molecular_weight	396960.0 kDa
排除体积 excluded_volume	496830 Å³
包络体积 envelope_volume	722020 Å³
水化壳体积 shell_volume	107660 Å³
包络直径 envelope_diameter	172.0 Å
壳层 Rg shell_rg	59.63 Å
包络 Rg envelope_rg	53.48 Å
形状 Rg shape_rg	55.25 Å
总 Rg total_rg	55.37 Å
总原子数 total_atoms	27925
残基数 n_residues	3592
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	167.0 Å
Rg (实空间) rg_real	55.42 Å
Rg 误差 (实空间) rg_real_error	1.07 Å
I(0) (实空间) i0_real	2.2450e+09
I(0) 误差 (实空间) i0_real_error	3.9130e+07
Rg (倒空间) rg_reciprocal	55.85 Å
I(0) (倒空间) i0_reciprocal	2246000000.0000
解质量估计 total_estimate	0.8501
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	83.5 Å
偏度 Skewness skewness	0.059
峰度 Kurtosis kurtosis	-0.663
角度范围 angular_range	— – 0.1400 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	332900000.0000
实空间数据点数 n_real_points	29
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.963; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.181

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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	MITOCHONDRIAL PROCESSING PEPTIDASE ALPHA SUBUNIT
分子量 formula_weight	52532.4 kDa
EC 编号 ec_number	3.4.24.64
来源方法 src_method	man
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,C,E,G
原子数 atom_count	27925

ARTDNFKLSSLANGLKVATSNTPGHFSALGLYIDAGSRFEGRNLKGCTHILDRLAFKSTEHVEGRAMAETLELLGGNYQCTSSRENLMYQASVFNQDVGKMLQLMSETVRFPKITEQELQEQKLSAEYEIDEVWMKPELVLPELLHTAAYSGETLGSPLICPRGLIPSISKYYLLDYRNKFYTPENTVAAFVGVPHEKALELTGKYLGDWQSTHPPITKKVAQYTGGESCIPPAPVFGNLPELFHIQIGFEGLPIDHPDIYALATLQTLLGGGGSFSAGGPGKGMYSRLYTHVLNQYYFVENCVAFNHSYSDSGIFGISLSCIPQAAPQAVEVIAQQMYNTFANKDLRLTEDEVSRAKNQLKSSLLMNLESKLVELEDMGRQVLMHGRKIPVNEMISKIEDLKPDDISRVAEMIFTGNVNNAGNGKGRATVVMQGDRGSFGDVENVLKAYGLGNSSSSKNDSPKKKGWFHHHHHH

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 BL21(DE3)

Entity 2 polymer

描述 description	MITOCHONDRIAL PROCESSING PEPTIDASE BETA SUBUNIT
分子量 formula_weight	48894.0 kDa
EC 编号 ec_number	3.4.24.64
突变 mutation	E73Q
来源方法 src_method	man
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	B,D,F,H

ASQIPGTRTSKLPNGLTIATEYIPNTSSATVGIFVDAGSRAENVKNNGTAHFLQHLAFKGTQNRPQQGIELEIENIGSHLNAYTSRENTVYYAKSLQEDIPKAVDILSDILTKSVLDNSAIERERDVIIRESEEVDKMYDEVVFDHLHEITYKDQPLGRTILGPIKNIKSITRTDLKDYITKNYKGDRMVLAGAGAVDHEKLVQYAQKYFGHVPKSESPVPLGSPRGPLPVFCRGERFIKENTLPTTHIAIALEGVSWSAPDYFVALATQAIVGNWDRAIGTGTNSPSPLAVAASQNGSLANSYMSFSTSYADSGLWGMYIVTDSNEHNVRLIVNEILKEWKRIKSGKISDAEVNRAKAQLKAALLLSLDGSTAIVEDIGRQVVTTGKRLSPEEVFEQVDKITKDDIIMWANYRLQNKPVSMVALGNTSTVPNVSYIEEKLNQ

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 BL21(DE3)

Entity 3 polymer

描述 description	MALATE DEHYDROGENASE
分子量 formula_weight	903.1 kDa
EC 编号 ec_number	1.1.1.37
来源方法 src_method	syn
拷贝数 entity_count	4

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	O,P,Q,R

LSRVAKRA

Entity 4 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

Entity 5 non-polymer

描述 description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
分子量 formula_weight	238.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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6. 折叠分类 (SCOP + CATH) 33 domains

SCOP 2.08 (17 domains)

结构域编号 domain_id	d1hr9a1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9a2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9b1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9b2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9c1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9c2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9d1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9d2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9e1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9e2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9f1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9f2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9f3
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	d1hr9g1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9g2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9h1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

结构域编号 domain_id	d1hr9h2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamily	d.185.1 — LuxS/MPP-like metallohydrolase
家族 Family family	d.185.1.1 — MPP-like

CATH v4.4 (16 domains)

结构域编号 domain_id	1hr9A01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9A02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9B01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9B02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9C01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9C02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9D01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9D02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9E01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9E02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9F01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9F02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9G01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9G02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9H01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

结构域编号 domain_id	1hr9H02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Metalloenzyme, LuxS/M16 peptidase-like

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7. 引用文献 (1)

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晶胞边长 a length_a	134.370 Å
晶胞边长 b length_b	178.520 Å
晶胞边长 c length_c	201.950 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	16

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	3.010 Å
最低分辨率 resolution_low	47.550 Å
R 因子 r_factor	0.2170
R_work r_work	0.2170
R_free r_free	0.2560

fit	/app/data/saxs_computation/hr/1hr9/1hr9.fit
pddf	/app/data/pr_computation/hr/1hr9/1hr9.pr.out
profile	/app/data/saxs_computation/hr/1hr9/1hr9.dat

Yeast Mitochondrial Processing Peptidase beta-E73Q Mutant Complexed with Malate Dehydrogenase Signal Peptide

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 polymer

聚合体 Polymer

Entity 4 non-polymer

Entity 5 non-polymer

6. 折叠分类 (SCOP + CATH) 33 domains

SCOP 2.08 (17 domains)

CATH v4.4 (16 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)