2j5t

Glutamate 5-kinase from Escherichia coli complexed with glutamate

Method: X-RAY DIFFRACTION D_max: 214.4 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	2j5t
沉积日期 deposition_date	2006-09-19
结构标题 title	Glutamate 5-kinase from Escherichia coli complexed with glutamate
关键词 keywords	PROLINE BIOSYNTHESIS, TRANSFERASE, FEEDBACK REGULATION; 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	60.02 Å
回转半径 Rg (电子) rg_electron	61.17 Å
零角强度 I(0) i0	1427550000.00
分子量 molecular_weight	306660.0 kDa
排除体积 excluded_volume	381400 Å³
包络体积 envelope_volume	554420 Å³
水化壳体积 shell_volume	84461 Å³
包络直径 envelope_diameter	234.3 Å
壳层 Rg shell_rg	52.50 Å
包络 Rg envelope_rg	60.99 Å
形状 Rg shape_rg	61.19 Å
总 Rg total_rg	60.84 Å
总原子数 total_atoms	21509
残基数 n_residues	2841
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	214.4 Å
Rg (实空间) rg_real	61.11 Å
Rg 误差 (实空间) rg_real_error	2.65 Å
I(0) (实空间) i0_real	1.4270e+09
I(0) 误差 (实空间) i0_real_error	3.1410e+07
Rg (倒空间) rg_reciprocal	59.09 Å
I(0) (倒空间) i0_reciprocal	1423000000.0000
解质量估计 total_estimate	0.7634
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	49.5 Å
偏度 Skewness skewness	0.736
峰度 Kurtosis kurtosis	0.018
角度范围 angular_range	— – 0.1300 Å⁻¹
当前正则化参数 α current_alpha	0.0002
最高正则化参数 α highest_alpha	141400000.0000
实空间数据点数 n_real_points	27
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.557; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.902; Smooth: 0.347

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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 (6)

Entity 1 polymer

描述 description	GLUTAMATE 5-KINASE
分子量 formula_weight	39089.4 kDa
EC 编号 ec_number	2.7.2.11
突变 mutation	YES
来源方法 src_method	man
拷贝数 entity_count	8

聚合体 Polymer

聚合体类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H
原子数 atom_count	21612

MSDSQTLVVKLGTSVLTGGSRRLNRAHIVELVRQCAQLHAAGHRIVIVTSGAIAAGREHLGYPELPATIASKQLLAAVGQSRLIQLWEQLFSIYGIHVGQMLLTRADMEDRERFLNARDTLRALLDNNVVPVINENDAVATAEIKVGDNDNLSALAAILAGADKLLLLTDQKGLYTADPRSNPQAELIKDVYGIDDALRAIAGDSVSGLGTGGMSTKLQAADVACRAGIDTIIAAGSKPGVIGDVMEGISVGTLFHAQATPLENRKRWIFGAPPAGEITVDEGATAAILERGSSLLPKGIKSVTGNFSRGEVIRICNLEGRDIAHGVSRYNSDALRRIAGHHSQEIDAILGYEYGPVAVHRDDMITR

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 non-polymer

描述 description	GLUTAMIC ACID
分子量 formula_weight	147.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	12

Entity 3 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

Entity 4 non-polymer

描述 description	CHLORIDE ION
分子量 formula_weight	35.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	20

Entity 5 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

Entity 6 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	103

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6. 折叠分类 (SCOP + CATH) 16 domains

CATH v4.4 (16 domains)

结构域编号 domain_id	2j5tA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1160 — Carbamate kinase
同源超家族 H-superfamily homologous superfamily	10 — Acetylglutamate kinase-like

结构域编号 domain_id	2j5tA02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — PUA domain

结构域编号 domain_id	2j5tB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1160 — Carbamate kinase
同源超家族 H-superfamily homologous superfamily	10 — Acetylglutamate kinase-like

结构域编号 domain_id	2j5tB02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — PUA domain

结构域编号 domain_id	2j5tC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1160 — Carbamate kinase
同源超家族 H-superfamily homologous superfamily	10 — Acetylglutamate kinase-like

结构域编号 domain_id	2j5tC02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — PUA domain

结构域编号 domain_id	2j5tD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1160 — Carbamate kinase
同源超家族 H-superfamily homologous superfamily	10 — Acetylglutamate kinase-like

结构域编号 domain_id	2j5tD02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — PUA domain

结构域编号 domain_id	2j5tE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1160 — Carbamate kinase
同源超家族 H-superfamily homologous superfamily	10 — Acetylglutamate kinase-like

结构域编号 domain_id	2j5tE02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — PUA domain

结构域编号 domain_id	2j5tF01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1160 — Carbamate kinase
同源超家族 H-superfamily homologous superfamily	10 — Acetylglutamate kinase-like

结构域编号 domain_id	2j5tF02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — PUA domain

结构域编号 domain_id	2j5tG01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1160 — Carbamate kinase
同源超家族 H-superfamily homologous superfamily	10 — Acetylglutamate kinase-like

结构域编号 domain_id	2j5tG02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — PUA domain

结构域编号 domain_id	2j5tH01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1160 — Carbamate kinase
同源超家族 H-superfamily homologous superfamily	10 — Acetylglutamate kinase-like

结构域编号 domain_id	2j5tH02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	130 — Archaeosine Trna-guanine Transglycosylase; Chain: A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — PUA domain

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7. 引用文献 (1)

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晶胞边长 a length_a	96.302 Å
晶胞边长 b length_b	124.108 Å
晶胞边长 c length_c	144.927 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	93.96 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.900 Å
最低分辨率 resolution_low	25.000 Å
R 因子 r_factor	0.1990
R_work r_work	0.1970
R_free r_free	0.2460

fit	/app/data/saxs_computation/j5/2j5t/2j5t.fit
pddf	/app/data/pr_computation/j5/2j5t/2j5t.pr.out
profile	/app/data/saxs_computation/j5/2j5t/2j5t.dat