SAXSdb — 6at3

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

Phosphoenolpyruvate carboxykinase (ATP)

Escherichia coli K-12

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 A； UniProt 1–540 链 B； UniProt 1–540	突变：Y207F	OAA OXALOACETATE ION × 1 THJ THIOSULFATE × 4	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 3350, 0.4 M sodium chloride, 0.1 M Bis-Tris pH 5.5, 0.1 M sodium thiosulfate	分辨率 1.46 Å R-free 0.219

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 6AT3	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
11KO Structure of Escherichia coli phosphoenolpyruvate carboxykinase with bound ATP, Mg2+, and Mn2+ 提交 2026-03-02	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–540（539 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MN MANGANESE (II) ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；4 ul drop with 4 mg/mL protein, 1 mM ADP, 1 mM phosphoenol pyruvate, 2.5 mM MgCl2, 2.5 mM MnCl2, 1 mM EDTA, 100 mM sodium acetate (pH 4.5), 200 mM ammonium acetate and 12% PEG 4000 was allowed to equilibrate with a 1 mL reservoir of 100 mM sodium acetate, 200 mM ammonium acetate and 31% PEG 4000	分辨率 1.58 Å R-free 0.185
1AQ2 PHOSPHOENOLPYRUVATE CARBOXYKINASE 提交 1997-08-05	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	MN MANGANESE (II) ION × 1 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 PYR PYRUVIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 4.4；pH 4.4	分辨率 1.90 Å R-free 0.260
1AYL PHOSPHOENOLPYRUVATE CARBOXYKINASE 提交 1995-12-07	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	OXL OXALATE ION × 1 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.80 Å R-free 0.234
1K3C Phosphoenolpyruvate carboxykinase in complex with ADP, AlF3 and Pyruvate 提交 2001-10-02	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 AF3 ALUMINUM FLUORIDE × 1 PYR PYRUVIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；294 K；ADP, Aluminum Nitrate, Magnesium Chloride, Sodium Fluoride, Pyruvate, EDTA, ammonium acetate, sodium acetate buffer, dithiothreitol, PEG 4000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K	分辨率 2.00 Å R-free 0.285
1K3D Phosphoenolpyruvate carboxykinase in complex with ADP and AlF3 提交 2001-10-02	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 AF3 ALUMINUM FLUORIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；294 K；ADP, Aluminum Nitrate, Magnesium Chloride, Sodium Fluoride, EDTA, ammonium acetate, sodium acetate buffer, dithiothreitol, PEG 4000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K	分辨率 2.00 Å R-free 0.266
1OEN PHOSPHOENOLPYRUVATE CARBOXYKINASE 提交 1995-09-08	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	ACT ACETATE ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.90 Å R-free 0.244
1OS1 Structure of Phosphoenolpyruvate Carboxykinase complexed with ATP,Mg, Ca and pyruvate. 提交 2003-03-18	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 PYR PYRUVIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；294 K；ADP, Calcium Chloride, Magnesium Chloride, PEP, EDTA, ammonium acetate, sodium acetate buffer, dithiothreitol, PEG 4000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 294K	分辨率 1.80 Å R-free 0.250
2OLQ How Does an Enzyme Recognize CO2? 提交 2007-01-19	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	MN MANGANESE (II) ION × 1 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 CO2 CARBON DIOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.5；298 K；30% P4000, 0.1 M sodium acetate pH 4.5, 0.2 M ammonium acetate, VAPOR DIFFUSION, temperature 298K	分辨率 1.94 Å R-free 0.235
2OLR Crystal structure of Escherichia coli phosphoenolpyruvate carboxykinase complexed with carbon dioxide, Mg2+, ATP 提交 2007-01-19	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 CO2 CARBON DIOXIDE × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.4；293 K；8 microL drops: 8 mg/ml protein concentration, 2 mM ATP, 5 mM oxalate, 100 mM sodium acetate (pH 4.4), 200 mM ammonium acetate, 12% PEG 4000, 1 ml resevoir: 100 mM sodium acetate, 200 mM ammonuim acetate, 27% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.60 Å R-free 0.198
2PXZ E. coli phosphoenolpyruvate carboxykinase (PEPCK) complexed with ATP, Mg2+, Mn2+, carbon dioxide and oxaloacetate 提交 2007-05-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 X 1–540（540 aa）	未记录	MG MAGNESIUM ION × 1 MN MANGANESE (II) ION × 1 OAA OXALOACETATE ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 CO2 CARBON DIOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.4；294 K；8ul drop with 8ug/ml protein, 2mM ADP, 5mM MgCl2, 10 uM MnCl2, 1 mM EDTA, 100 mM sodium acetate (pH 4.4), 200 mM ammonium acetate and 12% w/v PEG 4000 was allowed to equilibrate with a 1 ml reservoir of 100 mM sodium aceate, 200 mM ammonium acetate and 27% PEG 4000. After crystals grew for one week 2ul of a 1 mM EDTA and saturated sodium oxaloacetate solution was added to the drop. 5 ul of glycerol was added to the drop. A 0.1 x 0.1 x 0.3 mm crystal was removed with a loop and flash cooled in liquid nitrogen, VAPOR DIFFUSION, HANGING DROP, temperature 294K	分辨率 2.23 Å R-free 0.234
2PY7 Crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Lys213Ser complexed with ATP-Mg2+-Mn2+ 提交 2007-05-15	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 X 1–540（540 aa）	突变：K213S	MG MAGNESIUM ION × 1 MN MANGANESE (II) ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.6；293 K；A 2ul drop with 4 mg/ml protein, 20 mM Tris-HCl (pH 7.6), 0.5 mM EDTA, 5 mM ADP, 2.5 mM phosphoenolpyruvate, 2.5 mM MgCl2, 2.5 mM MnCl2, 0.1 M sodium acetate, 0.05 M sodium cacodylate (pH 6.5), 15% PEG 8000 was allowed to equilibrate with a 1 ml well of 0.2 M sodium aceate, 0.1 M sodium cacodylate 30% PEG 8000. After a week a 0.1 x 0.1 x 0.4 mm crystal was removed and put in a small volume of well solution with 30% glycerol added. The crystal was put into a loop and flash cooled in liquid notrogen, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.218
6ASI E. coli phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate 提交 2017-08-24	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	突变：G209S	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 MN MANGANESE (II) ION × 1 03S methanesulfonic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；16% PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.3 M sodium chloride, 0.1 M sodium methanesulfonate	分辨率 1.79 Å R-free 0.185
6ASM E. coli phosphoenolpyruvate carboxykinase G209S K212C mutant bound to thiosulfate 提交 2017-08-25	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	突变：G209S, K212C	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 MN MANGANESE (II) ION × 1 XE XENON × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 THJ THIOSULFATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.4 M sodium chloride	分辨率 1.55 Å R-free 0.188
6ASN E. coli phosphoenolpyruvate carboxykinase K212I F216V mutant bound to methanesulfonate 提交 2017-08-25	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	突变：K212I, F216V	SO4 SULFATE ION × 3 03S methanesulfonic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.16 M ammonium sulfate, 0.08 M sodium acetate pH 4.8, 20% PEG 4000, 15% v/v glycerol	分辨率 1.55 Å R-free 0.193
6AT2 E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate 提交 2017-08-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	突变：G209N	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MN MANGANESE (II) ION × 1 MG MAGNESIUM ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 THJ THIOSULFATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 3350, 0.4 M sodium chloride, 0.1 M Bis-Tris pH 5.5, 0.1 M sodium thiosulfate	分辨率 1.44 Å R-free 0.191
6AT4 E. coli phosphoenolpyruvate carboxykinase bound to thiosulfate 提交 2017-08-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	未记录	THJ THIOSULFATE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 3350, 0.4 M sodium chloride, 0.1 M Bis-Tris pH 5.5, 0.1 M sodium thiosulfate	分辨率 1.33 Å R-free 0.151
6AT4 E. coli phosphoenolpyruvate carboxykinase bound to thiosulfate 提交 2017-08-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–540（540 aa）	未记录	THJ THIOSULFATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG 3350, 0.4 M sodium chloride, 0.1 M Bis-Tris pH 5.5, 0.1 M sodium thiosulfate	分辨率 1.33 Å R-free 0.151
6COM 2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn 提交 2018-03-12	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–540（540 aa）	突变：D269N	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 PYR PYRUVIC ACID × 1 CA CALCIUM ION × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 8.2；293 K；A 2ul drop with 2 mg/ml protein, 5 mM Calcium chloride, 5mM Magnesium chloride, 2 mM ATP, 2mM Pyruvate, 1 mM EDTA, 200 mM Ammonium acetate, 100 mM Sodium acetate, 0.01 mM DTT, 30% PEG 4000 was added to 2 ul drop containing 2 M sodium aceate, 0.1 M Tris pH 8.2 30% PEG 4000. After a week a rod like crystal was removed and soaked in a solution with 30% glycerol 1mM EDTA, 100 mM sodium acetate 200mM ammonium acetate and 12% PEG 4000. The crystal was put into a loop and flash cooled in liquid notrogen	分辨率 2.30 Å R-free 0.209

共 17 个其他 PDB 条目、18 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	PCKA_ECOLI
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–540； UniProt 1–540 作者链 B； PDB构建体 1–540； UniProt 1–540

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	6at3
沉积日期 deposition_date	2017-08-27
结构标题 title	E. coli phosphoenolpyruvate carboxykinase Y207F mutant bound to thiosulfate and oxaloacetate
关键词 keywords	Nonnative ligand, LYASE; LYASE
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	34.05 Å
回转半径 Rg (电子) rg_electron	33.44 Å
零角强度 I(0) i0	207787000.00
分子量 molecular_weight	116150.0 kDa
排除体积 excluded_volume	145190 Å³
包络体积 envelope_volume	177500 Å³
水化壳体积 shell_volume	43467 Å³
包络直径 envelope_diameter	108.8 Å
壳层 Rg shell_rg	40.92 Å
包络 Rg envelope_rg	32.95 Å
形状 Rg shape_rg	33.44 Å
总 Rg total_rg	33.97 Å
总原子数 total_atoms	16053
残基数 n_residues	1069
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	107.2 Å
Rg (实空间) rg_real	34.03 Å
Rg 误差 (实空间) rg_real_error	0.56 Å
I(0) (实空间) i0_real	2.0780e+08
I(0) 误差 (实空间) i0_real_error	2.9240e+06
Rg (倒空间) rg_reciprocal	34.04 Å
I(0) (倒空间) i0_reciprocal	207800000.0000
解质量估计 total_estimate	0.8953
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	35.0 Å
偏度 Skewness skewness	0.259
峰度 Kurtosis kurtosis	-0.665
角度范围 angular_range	— – 0.2300 Å⁻¹
当前正则化参数 α current_alpha	0.0002
最高正则化参数 α highest_alpha	86530000.0000
实空间数据点数 n_real_points	47
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.937; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.828

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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 (4)

实体 1 Entity 1 polymer

描述 description	Phosphoenolpyruvate carboxykinase (ATP)
分子量 formula_weight	60522.1 kDa
EC 编号 ec_number	4.1.1.49
突变 mutation	Y207F
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	A,B
原子数 atom_count	16947

MRVNNGLTPQELEAYGISDVHDIVYNPSYDLLYQEELDPSLTGYERGVLTNLGAVAVDTGIFTGRSPKDKYIVRDDTTRDTFWWADKGKGKNDNKPLSPETWQHLKGLVTRQLSGKRLFVVDAFCGANPDTRLSVRFITEVAWQAHFVKNMFIRPSDEELAGFKPDFIVMNGAKCTNPQWKEQGLNSENFVAFNLTERMQLIGGTWFGGEMKKGMFSMMNYLLPLKGIASMHCSANVGEKGDVAVFFGLSGTGKTTLSTDPKRRLIGDDEHGWDDDGVFNFEGGCYAKTIKLSKEAEPEIYNAIRRDALLENVTVREDGTIDFDDGSKTENTRVSYPIYHIDNIVKPVSKAGHATKVIFLTADAFGVLPPVSRLTADQTQYHFLSGFTAKLAGTERGITEPTPTFSACFGAAFLSLHPTQYAEVLVKRMQAAGAQAYLVNTGWNGTGKRISIKDTRAIIDAILNGSLDNAETFTLPMFNLAIPTELPGVDTKILDPRNTYASPEQWQEKAETLAKLFIDNFDKYTDTPAGAALVAAGPKLHHHHHH

来源 Source

来源生物 organism	Escherichia coli K-12
NCBI 分类编号 ncbi_taxonomy_id	83333
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	OXALOACETATE ION
分子量 formula_weight	131.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 non-polymer

描述 description	THIOSULFATE
分子量 formula_weight	112.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 4 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	894

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7. 折叠分类 (SCOP + CATH) 11 domains

SCOP 2.08 (5 domains)

结构域编号 domain_id	d6at3a1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.109 — PEP carboxykinase N-terminal domain
超家族 Superfamily superfamily	c.109.1 — PEP carboxykinase N-terminal domain
家族 Family family	c.109.1.1 — PEP carboxykinase N-terminal domain

结构域编号 domain_id	d6at3a2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.91 — PEP carboxykinase-like
超家族 Superfamily superfamily	c.91.1 — PEP carboxykinase-like
家族 Family family	c.91.1.1 — PEP carboxykinase C-terminal domain

结构域编号 domain_id	d6at3a3
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d6at3b1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.109 — PEP carboxykinase N-terminal domain
超家族 Superfamily superfamily	c.109.1 — PEP carboxykinase N-terminal domain
家族 Family family	c.109.1.1 — PEP carboxykinase N-terminal domain

结构域编号 domain_id	d6at3b2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.91 — PEP carboxykinase-like
超家族 Superfamily superfamily	c.91.1 — PEP carboxykinase-like
家族 Family family	c.91.1.1 — PEP carboxykinase C-terminal domain

CATH v4.4 (6 domains)

结构域编号 domain_id	6at3A01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	449 — Phosphoenolpyruvate Carboxykinase; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Phosphoenolpyruvate Carboxykinase, domain 1

结构域编号 domain_id	6at3A02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	8 — Phosphoenolpyruvate Carboxykinase; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Phosphoenolpyruvate Carboxykinase, domain 2

结构域编号 domain_id	6at3A03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	228 — Phosphoenolpyruvate Carboxykinase; domain 3
同源超家族 H-superfamily homologous superfamily	20 —

结构域编号 domain_id	6at3B01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	449 — Phosphoenolpyruvate Carboxykinase; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Phosphoenolpyruvate Carboxykinase, domain 1

结构域编号 domain_id	6at3B02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	170 — Beta Complex
拓扑 Topology topology	8 — Phosphoenolpyruvate Carboxykinase; domain 2
同源超家族 H-superfamily homologous superfamily	10 — Phosphoenolpyruvate Carboxykinase, domain 2

结构域编号 domain_id	6at3B03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	228 — Phosphoenolpyruvate Carboxykinase; domain 3
同源超家族 H-superfamily homologous superfamily	20 —

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8. 引用文献 (1)

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晶胞边长 a length_a	94.670 Å
晶胞边长 b length_b	105.857 Å
晶胞边长 c length_c	120.487 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 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	1.455 Å
最低分辨率 resolution_low	47.335 Å
R 因子 r_factor	0.1990
R_work r_work	0.1988
R_free r_free	0.2187

fit	/app/data/saxs_computation/at/6at3/6at3.fit
pddf	/app/data/pr_computation/at/6at3/6at3.pr.out
profile	/app/data/saxs_computation/at/6at3/6at3.dat

E. coli phosphoenolpyruvate carboxykinase Y207F mutant bound to thiosulfate and oxaloacetate

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

Phosphoenolpyruvate carboxykinase (ATP)

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