1ltg

THE ARG7LYS MUTANT OF HEAT-LABILE ENTEROTOXIN EXHIBITS GREAT FLEXIBILITY OF ACTIVE SITE LOOP 47-56 OF THE A SUBUNIT

Method: X-RAY DIFFRACTION D_max: 87.5 Å Quality: EXCELLENT

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	1ltg
沉积日期 deposition_date	1995-06-13
结构标题 title	THE ARG7LYS MUTANT OF HEAT-LABILE ENTEROTOXIN EXHIBITS GREAT FLEXIBILITY OF ACTIVE SITE LOOP 47-56 OF THE A SUBUNIT
关键词 keywords	ENTEROTOXIN; ENTEROTOXIN
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	28.21 Å
回转半径 Rg (电子) rg_electron	26.90 Å
零角强度 I(0) i0	116782000.00
分子量 molecular_weight	84059.0 kDa
排除体积 excluded_volume	104850 Å³
包络体积 envelope_volume	126000 Å³
水化壳体积 shell_volume	38057 Å³
包络直径 envelope_diameter	92.4 Å
壳层 Rg shell_rg	35.02 Å
包络 Rg envelope_rg	26.96 Å
形状 Rg shape_rg	26.93 Å
总 Rg total_rg	27.57 Å
总原子数 total_atoms	5896
残基数 n_residues	730
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	87.5 Å
Rg (实空间) rg_real	28.02 Å
Rg 误差 (实空间) rg_real_error	0.49 Å
I(0) (实空间) i0_real	1.1680e+08
I(0) 误差 (实空间) i0_real_error	1.6940e+06
Rg (倒空间) rg_reciprocal	28.08 Å
I(0) (倒空间) i0_reciprocal	116800000.0000
解质量估计 total_estimate	0.9049
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	35.9 Å
偏度 Skewness skewness	0.146
峰度 Kurtosis kurtosis	-0.510
角度范围 angular_range	— – 0.2800 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	50340000.0000
实空间数据点数 n_real_points	57
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.974

▶

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

▶

5. 实体与聚合体信息 (4)

Entity 1 polymer

描述 description	HEAT-LABILE ENTEROTOXIN
分子量 formula_weight	11807.5 kDa
突变 mutation	ARG A 7 LYS
来源方法 src_method	man
拷贝数 entity_count	5

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	D,E,F,G,H
原子数 atom_count	5967

APQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN

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	HEAT-LABILE ENTEROTOXIN
分子量 formula_weight	21901.1 kDa
突变 mutation	ARG A 7 LYS
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

NGDRLYKADSRPPDEIKRSGGLMPRGHNEYFDRGTQMNINLYDHARGTQTGFVRYDDGYVSTSLSLRSAHLAGQSILSGYSTYYIYVIATAPNMFNVNDVLGVYSPHPYEQEVSALGGIPYSQIYGWYRVNFGVIDERLHRNREYRDRYYRNLNIAPAEDGYRLAGFPPDHQAWREEPWIHHAPQGCGNSS

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 polymer

描述 description	HEAT-LABILE ENTEROTOXIN
分子量 formula_weight	5940.5 kDa
突变 mutation	ARG A 7 LYS
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	C

RTITGDTCNEETQNLSTIYLREYQSKVKRQIFSDYQSEVDIYNRIRDEL

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 4 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	71

▼

6. 折叠分类 (SCOP + CATH) 13 domains

SCOP 2.08 (6 domains)

结构域编号 domain_id	d1ltg.1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.166 — ADP-ribosylation
超家族 Superfamily superfamily	d.166.1 — ADP-ribosylation
家族 Family family	d.166.1.1 — ADP-ribosylating toxins

结构域编号 domain_id	d1ltgd_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.2 — Bacterial enterotoxins
家族 Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

结构域编号 domain_id	d1ltge_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.2 — Bacterial enterotoxins
家族 Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

结构域编号 domain_id	d1ltgf_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.2 — Bacterial enterotoxins
家族 Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

结构域编号 domain_id	d1ltgg_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.2 — Bacterial enterotoxins
家族 Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

结构域编号 domain_id	d1ltgh_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.40 — OB-fold
超家族 Superfamily superfamily	b.40.2 — Bacterial enterotoxins
家族 Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

CATH v4.4 (7 domains)

结构域编号 domain_id	1ltgA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	210 — Heat-Labile Enterotoxin; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Heat-Labile Enterotoxin, subunit A

结构域编号 domain_id	1ltgC00
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	240 —

结构域编号 domain_id	1ltgD00
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	110 —

结构域编号 domain_id	1ltgE00
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	110 —

结构域编号 domain_id	1ltgF00
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	110 —

结构域编号 domain_id	1ltgG00
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	110 —

结构域编号 domain_id	1ltgH00
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	110 —

▶

7. 引用文献 (4)

▶

晶胞边长 a length_a	119.700 Å
晶胞边长 b length_b	98.500 Å
晶胞边长 c length_c	65.500 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	20

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	2.400 Å
最低分辨率 resolution_low	10.000 Å
R 因子 r_factor	0.1780
R_work r_work	0.1780
R_free r_free	—

fit	/app/data/saxs_computation/lt/1ltg/1ltg.fit
pddf	/app/data/pr_computation/lt/1ltg/1ltg.pr.out
profile	/app/data/saxs_computation/lt/1ltg/1ltg.dat

THE ARG7LYS MUTANT OF HEAT-LABILE ENTEROTOXIN EXHIBITS GREAT FLEXIBILITY OF ACTIVE SITE LOOP 47-56 OF THE A SUBUNIT

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 (4)

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 water

6. 折叠分类 (SCOP + CATH) 13 domains

SCOP 2.08 (6 domains)

CATH v4.4 (7 domains)

7. 引用文献 (4)

8. 文件与曲线 (10)

Files (7)

Curves (3)