1gne

;THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 ;

Method: X-RAY DIFFRACTION D_max: 67.8 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	1gne
沉积日期 deposition_date	1994-06-16
结构标题 title	;THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 ;
关键词 keywords	GLUTATHIONE TRANSFERASE, TRANSFERASE; TRANSFERASE
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	19.91 Å
回转半径 Rg (电子) rg_electron	18.62 Å
零角强度 I(0) i0	12427200.00
分子量 molecular_weight	27357.0 kDa
排除体积 excluded_volume	34668 Å³
包络体积 envelope_volume	40732 Å³
水化壳体积 shell_volume	18508 Å³
包络直径 envelope_diameter	71.8 Å
壳层 Rg shell_rg	24.91 Å
包络 Rg envelope_rg	19.11 Å
形状 Rg shape_rg	18.58 Å
总 Rg total_rg	19.71 Å
总原子数 total_atoms	1925
残基数 n_residues	232
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	67.8 Å
Rg (实空间) rg_real	19.86 Å
Rg 误差 (实空间) rg_real_error	0.51 Å
I(0) (实空间) i0_real	1.2430e+07
I(0) 误差 (实空间) i0_real_error	1.7150e+05
Rg (倒空间) rg_reciprocal	19.87 Å
I(0) (倒空间) i0_reciprocal	12430000.0000
解质量估计 total_estimate	0.7813
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	25.8 Å
偏度 Skewness skewness	0.327
峰度 Kurtosis kurtosis	-0.106
角度范围 angular_range	— – 0.4000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	3126000.0000
实空间数据点数 n_real_points	72
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.724; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; 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	GLUTATHIONE S-TRANSFERASE
分子量 formula_weight	27091.4 kDa
EC 编号 ec_number	2.5.1.18
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	2051

SPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKSDLVPRGSMELDKWA

来源 Source

来源生物 organism	synthetic construct
NCBI 分类编号 ncbi_taxonomy_id	32630

Entity 2 non-polymer

描述 description	GLUTATHIONE
分子量 formula_weight	307.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

Entity 3 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	126

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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	d1gnea1
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.45 — GST C-terminal domain-like
超家族 Superfamily superfamily	a.45.1 — GST C-terminal domain-like
家族 Family family	a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain

结构域编号 domain_id	d1gnea2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.47 — Thioredoxin fold
超家族 Superfamily superfamily	c.47.1 — Thioredoxin-like
家族 Family family	c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain

CATH v4.4 (2 domains)

结构域编号 domain_id	1gneA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	30 — Glutaredoxin
同源超家族 H-superfamily homologous superfamily	10 — Glutaredoxin

结构域编号 domain_id	1gneA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2
同源超家族 H-superfamily homologous superfamily	10 —

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7. 引用文献 (12)

;Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV. ;

Protein Sci. (1994)

PMID: 7538846 PRIMARY

Fusion Proteins as Alternate Crystallization Paths to Difficult Structure Problems

PROTEIN PEPT.LETT. (1994)

;Molecular Structure at 1.8 Angstroms of Mouse Liver Class Pi Glutathione S-Transferase Complexed with S-(P-Nitrobenzyl)Glutathione and Other Inhibitors ;

J.Mol.Biol. (1994)

Glutathione Proteins

Curr.Opin.Struct.Biol. (1993)

A Conserved Neutralizing Epitope on Gp41 of Human Immunodeficiency Virus Type 1

J.Virol. (1993)

;Structure Determination and Refinement of Human Alpha Class Glutathione Transferase A1-1, and a Comparison with the Mu and Pi Class Enzymes ;

J.Mol.Biol. (1993)

;The Three-Dimensional Structure of a Glutathione S-Transferase from the Mu Gene Class. Structural Analysis of the Binary Complex of Isoenzyme 3-3 and Glutathione at 2.2 Angstroms Resolution ;

Biochemistry (1992)

;Three-Dimensional Structure of Class P Glutathione S-Transferase from Human Placenta in Complex with S-Hexylglutathione at 2.8 Angstroms Resolution ;

J.Mol.Biol. (1992)

;The Three-Dimensional Structure of Class P Glutathione S-Transferase in Complex with Glutathione Sulfonate at 2.3 Angstroms Resolution ;

Embo J. (1991)

Single-Step Purification of Polypeptides Expressed in Escherichia Coli as Fusions with Glutathione S-Transferase

Gene (1988)

Correction

Proc.Natl.Acad.Sci.USA (1987)

Mr 26,000 Antigen of Schistosoma Japonicum Recognized by Resistant Wehi 129(Slash)J Mice is a Parasite Glutathione S-Transferase

Proc.Natl.Acad.Sci.USA (1986)

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晶胞边长 a length_a	94.740 Å
晶胞边长 b length_b	94.740 Å
晶胞边长 c length_c	58.130 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	8

空间群 space_group	P 43 21 2
空间群编号 int_tables_number	96
晶系 crystal_system	—

分辨率 resolution	2.500 Å
最低分辨率 resolution_low	6.000 Å
R 因子 r_factor	0.2190
R_work r_work	0.2190
R_free r_free	—

fit	/app/data/saxs_computation/gn/1gne/1gne.fit
pddf	/app/data/pr_computation/gn/1gne/1gne.pr.out
profile	/app/data/saxs_computation/gn/1gne/1gne.dat