1g10

TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR STRUCTURE

Method: SOLUTION NMR D_max: 41.9 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	1g10
沉积日期 deposition_date	2000-10-10
结构标题 title	TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR STRUCTURE
关键词 keywords	aromatic hydrocarbon catabolism, OXIDOREDUCTASE, MONOOXYGENASE, TOLUENE OXIDATION; OXIDOREDUCTASE
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	16.30 Å
回转半径 Rg (电子) rg_electron	15.06 Å
零角强度 I(0) i0	2924250.00
分子量 molecular_weight	11461.0 kDa
排除体积 excluded_volume	14249 Å³
包络体积 envelope_volume	18566 Å³
水化壳体积 shell_volume	11290 Å³
包络直径 envelope_diameter	65.4 Å
壳层 Rg shell_rg	19.90 Å
包络 Rg envelope_rg	15.81 Å
形状 Rg shape_rg	15.00 Å
总 Rg total_rg	16.30 Å
总原子数 total_atoms	1602
残基数 n_residues	102
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	41.9 Å
Rg (实空间) rg_real	15.18 Å
Rg 误差 (实空间) rg_real_error	0.05 Å
I(0) (实空间) i0_real	2.7720e+06
I(0) 误差 (实空间) i0_real_error	2.2510e+04
Rg (倒空间) rg_reciprocal	16.37 Å
I(0) (倒空间) i0_reciprocal	2924000.0000
解质量估计 total_estimate	0.6842
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	19.9 Å
偏度 Skewness skewness	0.107
峰度 Kurtosis kurtosis	-0.362
角度范围 angular_range	— – 0.4900 Å⁻¹
当前正则化参数 α current_alpha	2.7030
最高正则化参数 α highest_alpha	357600.0000
实空间数据点数 n_real_points	79
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.004; Oscil: 0.984; Stabil: 0.984; Sysdev: 0.000; Positv: 1.000; Valcen: 0.992; 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 (1)

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6. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d1g10a_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.137 — Monooxygenase (hydroxylase) regulatory protein
超家族 Superfamily superfamily	d.137.1 — Monooxygenase (hydroxylase) regulatory protein
家族 Family family	d.137.1.1 — Monooxygenase (hydroxylase) regulatory protein

CATH v4.4 (1 domains)

结构域编号 domain_id	1g10A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	56 — Phenol Hydroxylase P2 Protein
同源超家族 H-superfamily homologous superfamily	10 — Monooxygenase component MmoB/DmpM

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7. 引用文献 (6)

Solution structure of the toluene 4-monooxygenase effector protein (T4moD).

Biochemistry (2001)

PMID: 11297417 · DOI: 10.1021/bi0013703 PRIMARY

Assignment of 1H, 13C and 15N NMR Signals in the Toluene 4-monooxygenase Effector Protein

J.BIOMOL.NMR (2000)

DOI: 10.1023/A:1008333115661

Application of Fed-batch Fermentation to the Preparation of Isotopicaly Labeled or Selenomethionyl-labeled Proteins

PROTEIN EXPR.PURIF. (1999)

DOI: 10.1006/prep.1999.1067

;Detection and Classification of Hyperfine-shifted 1H, 2H, and 15N Resonances of the Rieske Ferredoxin Component from Toluene 4-monooxygenase ;

Biochemistry (1999)

DOI: 10.1021/bi981851a

;Recombinant Toluene-4-monooxygenase: Catalytic and Mossbauer Studies of the Purified Diiron and Rieske Components of a Four-Protein Complex ;

Biochemistry (1996)

DOI: 10.1021/bi960456m

;Toluene-4-monooxygenase, a Three Component Enzyme System that Catalyzes the Oxidation of Toluene to p-Cresol in Pseudomonas mendocina KR1 ;

J.BACTERIOL. (1991)

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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	—

描述 description	TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR
分子量 formula_weight	11497.8 kDa
EC 编号 ec_number	1.14.13.-
来源方法 src_method	man
拷贝数 entity_count	1

聚合体类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	1602

来源生物 organism	Pseudomonas mendocina
NCBI 分类编号 ncbi_taxonomy_id	300
宿主生物 host_organism	Escherichia coli

TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR 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 (1)

Entity 1 polymer

聚合体 Polymer

来源 Source

6. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

CATH v4.4 (1 domains)

7. 引用文献 (6)

8. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/g1/1g10/1g10.fit
pddf	/app/data/pr_computation/g1/1g10/1g10.pr.out
profile	/app/data/saxs_computation/g1/1g10/1g10.dat