SAXSdb — 1bot

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

PROTEIN (GLYCEROL KINASE)

Escherichia coli

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白同源多聚体同源多聚体蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 O； UniProt 1–501	未记录	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件：pH 7.5；1M SODIUM CITRATE, 0.1M HEPES PH 7.5, 1MM BME, CRYO PROTECTION WAS ACHIEVED BY SOAKING CRYSTAL IN MOTHER LIQUOR CONTAINING 20% GLYCEROL FOR 4 HOURS	分辨率 3.05 Å
2	蛋白同源多聚体同源多聚体蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 Z； UniProt 1–501	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件：pH 7.5；1M SODIUM CITRATE, 0.1M HEPES PH 7.5, 1MM BME, CRYO PROTECTION WAS ACHIEVED BY SOAKING CRYSTAL IN MOTHER LIQUOR CONTAINING 20% GLYCEROL FOR 4 HOURS	分辨率 3.05 Å

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 1BOT	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1BO5 CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE. 提交 1998-08-10	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 O 2–502（501 aa）链 Z 2–502（501 aa）	未记录	FBP 1,6-di-O-phosphono-beta-D-fructofuranose × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；PROTEIN CRYSTALLIZED FROM LIQUOR CONTAINING 1 M SODIUM CITRATE, 0.1 M HEPES PH 7.5, 1 MM BME. CRYO PROTECTION WAS ACHIEVED BY SOAKING CRYSTAL IN MOTHER LIQUOR CONTAINING 20% GLYCEROL FOR 4 HOURS. 20 MM FBP WAS ADDED TO THE CRYO PROTECTION IN THE SOAKING EXPERIMENT	分辨率 3.20 Å
1BO5 CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE. 提交 1998-08-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 O 2–502（501 aa）链 Z 2–502（501 aa）	未记录	FBP 1,6-di-O-phosphono-beta-D-fructofuranose × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；PROTEIN CRYSTALLIZED FROM LIQUOR CONTAINING 1 M SODIUM CITRATE, 0.1 M HEPES PH 7.5, 1 MM BME. CRYO PROTECTION WAS ACHIEVED BY SOAKING CRYSTAL IN MOTHER LIQUOR CONTAINING 20% GLYCEROL FOR 4 HOURS. 20 MM FBP WAS ADDED TO THE CRYO PROTECTION IN THE SOAKING EXPERIMENT	分辨率 3.20 Å
1BO5 CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE. 提交 1998-08-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 O 2–502（501 aa）	未记录	FBP 1,6-di-O-phosphono-beta-D-fructofuranose × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；PROTEIN CRYSTALLIZED FROM LIQUOR CONTAINING 1 M SODIUM CITRATE, 0.1 M HEPES PH 7.5, 1 MM BME. CRYO PROTECTION WAS ACHIEVED BY SOAKING CRYSTAL IN MOTHER LIQUOR CONTAINING 20% GLYCEROL FOR 4 HOURS. 20 MM FBP WAS ADDED TO THE CRYO PROTECTION IN THE SOAKING EXPERIMENT	分辨率 3.20 Å
1BO5 CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE. 提交 1998-08-10	构建体不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 Z 2–502（501 aa）	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；PROTEIN CRYSTALLIZED FROM LIQUOR CONTAINING 1 M SODIUM CITRATE, 0.1 M HEPES PH 7.5, 1 MM BME. CRYO PROTECTION WAS ACHIEVED BY SOAKING CRYSTAL IN MOTHER LIQUOR CONTAINING 20% GLYCEROL FOR 4 HOURS. 20 MM FBP WAS ADDED TO THE CRYO PROTECTION IN THE SOAKING EXPERIMENT	分辨率 3.20 Å
1BU6 CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION 提交 1998-08-30	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 O 1–501（501 aa）链 X 1–501（501 aa）链 Y 1–501（501 aa）链 Z 1–501（501 aa）	突变：A65T 突变：A65T 突变：A65T 突变：A65T	SO4 SULFATE ION × 6 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；20-22% (W/V) POLYETHYLENE GLYCOL MR 4000 0.2 M LISO4 0.1 M TRIS PH 8.5 - 8.8 CRYSTALLIZED BY HANGING DROP VAPOR DIFFUSION AT ROOM TEMPERATURE., vapor diffusion - hanging drop	分辨率 2.37 Å
1BU6 CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION 提交 1998-08-30	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 O 1–501（501 aa）链 Y 1–501（501 aa）	突变：A65T 突变：A65T	SO4 SULFATE ION × 3 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；20-22% (W/V) POLYETHYLENE GLYCOL MR 4000 0.2 M LISO4 0.1 M TRIS PH 8.5 - 8.8 CRYSTALLIZED BY HANGING DROP VAPOR DIFFUSION AT ROOM TEMPERATURE., vapor diffusion - hanging drop	分辨率 2.37 Å
1BU6 CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION 提交 1998-08-30	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 X 1–501（501 aa）链 Z 1–501（501 aa）	突变：A65T 突变：A65T	SO4 SULFATE ION × 3 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；20-22% (W/V) POLYETHYLENE GLYCOL MR 4000 0.2 M LISO4 0.1 M TRIS PH 8.5 - 8.8 CRYSTALLIZED BY HANGING DROP VAPOR DIFFUSION AT ROOM TEMPERATURE., vapor diffusion - hanging drop	分辨率 2.37 Å
1BWF ESCHERICHIA COLI GLYCEROL KINASE MUTANT WITH BOUND ATP ANALOG SHOWING SUBSTANTIAL DOMAIN MOTION 提交 1998-09-23	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 O 1–501（501 aa）链 Y 1–501（501 aa）	突变：S58W 突变：S58W	MG MAGNESIUM ION × 2 ATF PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；pH 6.5	分辨率 3.00 Å
1GLA STRUCTURE OF THE REGULATORY COMPLEX OF ESCHERICHIA COLI IIIGLC WITH GLYCEROL KINASE 提交 1992-10-28	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 8 PDB 声明：octameric	链 G 1–501（501 aa）	未记录	GOL GLYCEROL × 4	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.60 Å
1GLB STRUCTURE OF THE REGULATORY COMPLEX OF ESCHERICHIA COLI IIIGLC WITH GLYCEROL KINASE 提交 1992-10-28	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 8 PDB 声明：octameric	链 G 1–501（501 aa）	未记录	ADP ADENOSINE-5'-DIPHOSPHATE × 4 GOL GLYCEROL × 4	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.60 Å
1GLC CATION PROMOTED ASSOCIATION (CPA) OF A REGULATORY AND TARGET PROTEIN IS CONTROLLED BY PHOSPHORYLATION 提交 1994-03-07	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 8 PDB 声明：octameric	链 G 1–501（501 aa）	未记录	ZN ZINC ION × 4 MG MAGNESIUM ION × 4 G3H GLYCERALDEHYDE-3-PHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 4	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.65 Å
1GLC CATION PROMOTED ASSOCIATION (CPA) OF A REGULATORY AND TARGET PROTEIN IS CONTROLLED BY PHOSPHORYLATION 提交 1994-03-07	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 G 1–501（501 aa）	未记录	ZN ZINC ION × 2 MG MAGNESIUM ION × 2 G3H GLYCERALDEHYDE-3-PHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.65 Å
1GLC CATION PROMOTED ASSOCIATION (CPA) OF A REGULATORY AND TARGET PROTEIN IS CONTROLLED BY PHOSPHORYLATION 提交 1994-03-07	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 G 1–501（501 aa）	未记录	ZN ZINC ION × 2 MG MAGNESIUM ION × 2 G3H GLYCERALDEHYDE-3-PHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.65 Å
1GLD CATION PROMOTED ASSOCIATION (CPA) OF A REGULATORY AND TARGET PROTEIN IS CONTROLLED BY PHOSPHORYLATION 提交 1994-03-07	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 8 PDB 声明：octameric	链 G 1–501（501 aa）	未记录	MN MANGANESE (II) ION × 4 G3H GLYCERALDEHYDE-3-PHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 4	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.93 Å
1GLE CATION PROMOTED ASSOCIATION (CPA) OF A REGULATORY AND TARGET PROTEIN IS CONTROLLED BY PHOSPHORYLATION 提交 1994-03-07	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 8 PDB 声明：octameric	链 G 1–501（501 aa）	未记录	ZN ZINC ION × 8 G3H GLYCERALDEHYDE-3-PHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 4	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.94 Å
1GLE CATION PROMOTED ASSOCIATION (CPA) OF A REGULATORY AND TARGET PROTEIN IS CONTROLLED BY PHOSPHORYLATION 提交 1994-03-07	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 G 1–501（501 aa）	未记录	ZN ZINC ION × 4 G3H GLYCERALDEHYDE-3-PHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.94 Å
1GLE CATION PROMOTED ASSOCIATION (CPA) OF A REGULATORY AND TARGET PROTEIN IS CONTROLLED BY PHOSPHORYLATION 提交 1994-03-07	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 G 1–501（501 aa）	未记录	ZN ZINC ION × 4 G3H GLYCERALDEHYDE-3-PHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.94 Å
1GLF CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION 提交 1998-08-30	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 O 2–502（501 aa）链 X 2–502（501 aa）链 Y 2–502（501 aa）链 Z 2–502（501 aa）	未记录	PO4 PHOSPHATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 4 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；pH 6.50	分辨率 2.62 Å
1GLJ ESCHERICHIA COLI GLYCEROL KINASE MUTANT WITH BOUND ATP ANALOG SHOWING SUBSTANTIAL DOMAIN MOTION 提交 1998-09-03	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 O 1–501（501 aa）链 Y 1–501（501 aa）	突变：S58W 突变：S58W	MG MAGNESIUM ION × 1 ATS GAMMA-ARSONO-BETA, GAMMA-METHYLENEADENOSINE-5'-DIPHOSPHATE × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；pH 6.5	分辨率 3.00 Å
1GLL ESCHERICHIA COLI GLYCEROL KINASE MUTANT WITH BOUND ATP ANALOG SHOWING SUBSTANTIAL DOMAIN MOTION 提交 1998-09-24	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 O 1–501（501 aa）链 Y 1–501（501 aa）	突变：S58W 突变：S58W	MG MAGNESIUM ION × 2 ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6.5；pH 6.5	分辨率 3.00 Å
3EZW Crystal Structure of a Hyperactive Escherichia coli Glycerol Kinase Mutant Gly230 --> Asp Obtained Using Microfluidic Crystallization Devices 提交 2008-10-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 2–501（500 aa）链 B 2–501（500 aa）链 E 2–501（500 aa）链 G 2–501（500 aa）	突变：G230D 突变：G230D 突变：G230D 突变：G230D	GOL GLYCEROL × 4 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 9	X-RAY DIFFRACTION X-ray结晶条件 microfluidic free interface diffusion；pH 8.5；298 K；20% PEG 1500, 0.3 M MAGNESIUM CHLORIDE, 0.1 M TRIS-HCL, pH 8.5, microfluidic free interface diffusion, temperature 298K	分辨率 2.00 Å R-free 0.225
3EZW Crystal Structure of a Hyperactive Escherichia coli Glycerol Kinase Mutant Gly230 --> Asp Obtained Using Microfluidic Crystallization Devices 提交 2008-10-23	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 C 2–501（500 aa）链 D 2–501（500 aa）链 F 2–501（500 aa）链 H 2–501（500 aa）	突变：G230D 突变：G230D 突变：G230D 突变：G230D	GOL GLYCEROL × 4 CL CHLORIDE ION × 4 EDO 1,2-ETHANEDIOL × 10	X-RAY DIFFRACTION X-ray结晶条件 microfluidic free interface diffusion；pH 8.5；298 K；20% PEG 1500, 0.3 M MAGNESIUM CHLORIDE, 0.1 M TRIS-HCL, pH 8.5, microfluidic free interface diffusion, temperature 298K	分辨率 2.00 Å R-free 0.225

共 12 个其他 PDB 条目、22 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	GLPK_ECOLI
Isoform	—
PDB实体	1
链与序列区间	作者链 O； PDB构建体 1–501； UniProt 1–501 作者链 Z； PDB构建体 1–501； UniProt 1–501

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	1bot
沉积日期 deposition_date	1998-08-05
结构标题 title	CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE.
关键词 keywords	KINASE, ALLOSTERIC REGULATION, FRUCTOSE BISPHOSPHATE, TRANSFERASE; TRANSFERASE
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	39.50 Å
回转半径 Rg (电子) rg_electron	39.43 Å
零角强度 I(0) i0	190689000.00
分子量 molecular_weight	111750.0 kDa
排除体积 excluded_volume	139360 Å³
包络体积 envelope_volume	172360 Å³
水化壳体积 shell_volume	36842 Å³
包络直径 envelope_diameter	120.2 Å
壳层 Rg shell_rg	44.60 Å
包络 Rg envelope_rg	38.29 Å
形状 Rg shape_rg	39.41 Å
总 Rg total_rg	39.77 Å
总原子数 total_atoms	7864
残基数 n_residues	995
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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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	124.4 Å
Rg (实空间) rg_real	39.81 Å
Rg 误差 (实空间) rg_real_error	1.25 Å
I(0) (实空间) i0_real	1.9070e+08
I(0) 误差 (实空间) i0_real_error	3.5740e+06
Rg (倒空间) rg_reciprocal	39.63 Å
I(0) (倒空间) i0_reciprocal	190700000.0000
解质量估计 total_estimate	0.7726
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	28.0 Å
偏度 Skewness skewness	0.287
峰度 Kurtosis kurtosis	-1.018
角度范围 angular_range	— – 0.2000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	50550000.0000
实空间数据点数 n_real_points	41
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.568; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.638; Smooth: 0.698

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (3)

实体 1 Entity 1 polymer

描述 description	PROTEIN (GLYCEROL KINASE)
分子量 formula_weight	56162.4 kDa
EC 编号 ec_number	2.7.1.30
来源方法 src_method	man
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	O,Z
原子数 atom_count	7864

TEKKYIVALDQGTTSSRAVVMDHDANIISVSQREFEQIYPKPGWVEHDPMEIWATQSSTLVEVLAKADISSDQIAAIGITNQRETTIVWEKETGKPIYNAIVWQCRRTAEICEHLKRDGLEDYIRSNTGLVIDPYFSGTKVKWILDHVEGSRERARRGELLFGTVDTWLIWKMTQGRVHVTDYTNASRTMLFNIHTLDWDDKMLEVLDIPREMLPEVRRSSEVYGQTNIGGKGGTRIPISGIAGDQQAALFGQLCVKEGMAKNTYGTGCFMLMNTGEKAVKSENGLLTTIACGPTGEVNYALEGAVFMAGASIQWLRDEMKLINDAYDSEYFATKVQNTNGVYVVPAFTGLGAPYWDPYARGAIFGLTRGVNANHIIRATLESIAYQTRDVLEAMQADSGIRLHALRVDGGAVANNFLMQFQSDILGTRVERPEVREVTALGAAYLAGLAVGFWQNLDELQEKAVIEREFRPGIETTERNYRYAGWKKAVKRAMAWEEHDE

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 BL21(DE3)

实体 2 Entity 2 non-polymer

描述 description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
分子量 formula_weight	238.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 non-polymer

描述 description	GLYCEROL
分子量 formula_weight	92.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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7. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d1boto1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.4 — Glycerol kinase

结构域编号 domain_id	d1boto2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.4 — Glycerol kinase

结构域编号 domain_id	d1botz1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.4 — Glycerol kinase

结构域编号 domain_id	d1botz2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.4 — Glycerol kinase

CATH v4.4 (4 domains)

结构域编号 domain_id	1botO01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	1botO02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	1botZ01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	1botZ02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

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8. 引用文献 (1)

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晶胞边长 a length_a	168.800 Å
晶胞边长 b length_b	168.800 Å
晶胞边长 c length_c	202.700 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	16

空间群 space_group	P 41 21 2
空间群编号 int_tables_number	92
晶系 crystal_system	—

分辨率 resolution	3.050 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	—
R_work r_work	0.2190
R_free r_free	—

fit	/app/data/saxs_computation/bo/1bot/1bot.fit
pddf	/app/data/pr_computation/bo/1bot/1bot.pr.out
profile	/app/data/saxs_computation/bo/1bot/1bot.dat

CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE.

1. 蛋白身份与相关结构 Protein Identity & Related Structures

PROTEIN (GLYCEROL KINASE)

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

5. 晶体学与实验 5. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction