1j6t

;COMPLEX OF ENZYME IIAMTL AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE ;

Method: SOLUTION NMR D_max: 56.7 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

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1. 结构基本信息 1. Structure Basics

条目编号 entry_id	1j6t
沉积日期 deposition_date	2002-08-14
结构标题 title	;COMPLEX OF ENZYME IIAMTL AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE ;
关键词 keywords	PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT, COMPLEX (TRANSFERASE-PHOSPHOCARRIER); TRANSFERASE
实验方法 method	SOLUTION NMR

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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	18.54 Å
回转半径 Rg (电子) rg_electron	17.99 Å
零角强度 I(0) i0	83131300.00
分子量 molecular_weight	74937.0 kDa
排除体积 excluded_volume	94087 Å³
包络体积 envelope_volume	36443 Å³
水化壳体积 shell_volume	17354 Å³
包络直径 envelope_diameter	60.2 Å
壳层 Rg shell_rg	23.72 Å
包络 Rg envelope_rg	18.07 Å
形状 Rg shape_rg	17.98 Å
总 Rg total_rg	18.36 Å
总原子数 total_atoms	10598
残基数 n_residues	687
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	56.7 Å
Rg (实空间) rg_real	18.48 Å
Rg 误差 (实空间) rg_real_error	0.34 Å
I(0) (实空间) i0_real	8.3130e+07
I(0) 误差 (实空间) i0_real_error	1.0200e+06
Rg (倒空间) rg_reciprocal	18.49 Å
I(0) (倒空间) i0_reciprocal	83130000.0000
解质量估计 total_estimate	0.6872
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	23.3 Å
偏度 Skewness skewness	0.245
峰度 Kurtosis kurtosis	-0.416
角度范围 angular_range	— – 0.4300 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	1788000.0000
实空间数据点数 n_real_points	74
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 0.996; Sysdev: 0.391; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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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 (3)

Entity 1 polymer

描述 description	PTS SYSTEM, MANNITOL-SPECIFIC IIABC COMPONENT
分子量 formula_weight	16348.5 kDa
来源方法 src_method	man
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	10673

MANLFKLGAENIFLGRKAATKEEAIRFAGEQLVKGGYVEPEYVQAMLDREKLTPTYLGESIAVPHGTVEAKDRVLKTGVVFCQYPEGVRFGEEEDDIARLVIGIAARNNEHIQVITSLTNALDDESVIERLAHTTSVDEVLELLAGRK

来源 Source

来源生物 organism	Escherichia coli
NCBI 分类编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 2 polymer

描述 description	Phosphocarrier protein HPr
分子量 formula_weight	9129.3 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合体 Polymer

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

MFQQEVTITAPNGLHTRPAAQFVKEAKGFTSEITVTSNGKSASAKSLFKLQTLGLTQGTVVTISAEGEDEQKAVEHLVKLMAELE

来源 Source

来源生物 organism	Escherichia coli
NCBI 分类编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 3 non-polymer

描述 description	PHOSPHITE ION
分子量 formula_weight	79.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

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6. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d1j6ta_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.112 — Phoshotransferase/anion transport protein
超家族 Superfamily superfamily	d.112.1 — Phoshotransferase/anion transport protein
家族 Family family	d.112.1.1 — IIA domain of mannitol-specific and ntr phosphotransferase EII

结构域编号 domain_id	d1j6tb_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.94 — HPr-like
超家族 Superfamily superfamily	d.94.1 — HPr-like
家族 Family family	d.94.1.1 — HPr-like

CATH v4.4 (2 domains)

结构域编号 domain_id	1j6tA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	930 — Mannitol-specific EII; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Mannitol-specific EII; Chain A

结构域编号 domain_id	1j6tB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1340 — Histidine-containing Protein; Chain: A;
同源超家族 H-superfamily homologous superfamily	10 — HPr-like

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7. 引用文献 (1)

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晶胞边长 a length_a	1.000 Å
晶胞边长 b length_b	1.000 Å
晶胞边长 c length_c	1.000 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	1

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

fit	/app/data/saxs_computation/j6/1j6t/1j6t.fit
pddf	/app/data/pr_computation/j6/1j6t/1j6t.pr.out
profile	/app/data/saxs_computation/j6/1j6t/1j6t.dat

;COMPLEX OF ENZYME IIAMTL AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE ;

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

5. 实体与聚合体信息 (3)

Entity 1 polymer

聚合体 Polymer

来源 Source

Entity 2 polymer

聚合体 Polymer

来源 Source

Entity 3 non-polymer

6. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. 引用文献 (1)

8. 文件与曲线 (10)

Files (7)

Curves (3)