1b2y

STRUCTURE OF HUMAN PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE CARBOHYDRATE INHIBITOR ACARBOSE

Method: X-RAY DIFFRACTION D_max: 81.0 Å Quality: GOOD

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

Pancreatic alpha-amylase

物种未注明

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	其他组合单体蛋白 × 1 其他聚合物 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 16–511	非标准单体：是（mmCIF未提供具体位点）	;alpha-D-quinovopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose ; × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件：pH 8；60% 2-METHYLPENTAN-2,4 DIOL, pH 8.0	分辨率 3.20 Å R-free 0.217

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 1B2Y	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
1BSI HUMAN PANCREATIC ALPHA-AMYLASE FROM PICHIA PASTORIS, GLYCOSYLATED PROTEIN 提交 1998-08-28	构建体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 17–511（495 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.00 Å
1CPU SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT 提交 1999-06-07	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 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 HMC 5-HYDROXYMETHYL-CHONDURITOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.00 Å
1HNY The structure of human pancreatic alpha-amylase at 1.8 angstroms resolution and comparisons with related enzymes 提交 1995-06-28	构建体不同聚集状态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 17–511（495 aa）	非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.80 Å
1KB3 Three Dimensional Structure Analysis of the R195A Variant of Human Pancreatic Alpha Amylase 提交 2001-11-05	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 16–511（496 aa）	突变：R195A 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP	分辨率 2.10 Å
1KBB Mechanistic Analyses of Catalysis in Human Pancreatic alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids 提交 2001-11-05	突变/修饰不同聚集状态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 16–511（496 aa）	突变：E233A 非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；MPD, cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.90 Å R-free 0.194
1KBK Mechanistic Analyses of Catalysis in Human Pancreatic Alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids 提交 2001-11-06	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 16–511（496 aa）	突变：D197A 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；MPD, cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.90 Å R-free 0.177
1KGU THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337A VARIANT OF HUMAN PANCREATIC ALPHA-AMYLASE 提交 2001-11-28	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 16–511（496 aa）	突变：R377A 非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å
1KGW THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337Q VARIANT OF HUMAN PANCREATIC ALPHA-MYLASE 提交 2001-11-28	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 16–511（496 aa）	突变：R377Q 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.10 Å
1KGX Three Dimensional Structure Analysis of the R195Q Variant of Human Pancreatic Alpha Amylase 提交 2001-11-28	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 16–511（496 aa）	突变：R195Q 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å
1U2Y In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing D-gluconhydroximo-1,5-lactam 提交 2004-07-20	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 GOX (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.95 Å R-free 0.198
1U30 In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing maltosyl-alpha (1,4)-D-gluconhydroximo-1,5-lactam 提交 2004-07-20	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 LAG MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 GOX (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.90 Å R-free 0.195
1U33 In situ extension as an approach for identifying novel alpha-amylase inhibitors 提交 2004-07-20	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 LM2 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.95 Å R-free 0.227
1XCW Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts 提交 2004-09-03	配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2-methylpentane-2,4-diol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.215
1XCX Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts 提交 2004-09-03	配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2-methylpentane-2, 4-diol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.90 Å R-free 0.198
1XD0 Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts 提交 2004-09-03	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ARE ACARBOSE DERIVED PENTASACCHARIDE × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2-methylpentane-2,4-diol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.199
1XD1 Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts 提交 2004-09-03	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 6SA ACARBOSE DERIVED HEXASACCHARIDE × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2-methylpentane-2,4-diol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.20 Å R-free 0.203
1XGZ Structure of the N298S variant of human pancreatic alpha-amylase 提交 2004-09-17	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 16–511（496 aa）	突变：N298S 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；MPD, cacodylate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.200
1XH0 Structure of the N298S variant of human pancreatic alpha-amylase complexed with acarbose 提交 2004-09-17	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 16–511（496 aa）	突变：N298S 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 AAO ACARBOSE DERIVED HEXASACCHARIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；MPD, cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.205
1XH1 Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride 提交 2004-09-17	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 16–511（496 aa）	突变：N298S 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；MPD, cacodylate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.03 Å R-free 0.207
1XH2 Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride and acarbose 提交 2004-09-17	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 16–511（496 aa）	突变：N298S 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ARE ACARBOSE DERIVED PENTASACCHARIDE × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；MPD, cacodylate , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.20 Å R-free 0.214
2CPU SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT 提交 1999-06-08	突变/修饰不同聚集状态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 16–511（496 aa）	突变：D300N 非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.00 Å
2QMK Human pancreatic alpha-amylase complexed with nitrite 提交 2007-07-16	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 NO2 NITRITE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% 2-methylpentane-2,4-diol, 100 mM cacodylate, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 2.30 Å R-free 0.218
2QV4 Human pancreatic alpha-amylase complexed with nitrite and acarbose 提交 2007-08-07	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 NO2 NITRITE ION × 1 QV4 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% 2-methylpentane-2,4-diol, 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 1.97 Å R-free 0.224
3BAI Human Pancreatic Alpha Amylase with Bound Nitrate 提交 2007-11-07	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NO3 NITRATE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% 2-methylpentane-2,4-diol, 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 1.90 Å R-free 0.208
3BAJ Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose 提交 2007-11-07	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ARE ACARBOSE DERIVED PENTASACCHARIDE × 1 NO3 NITRATE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% 2-methylpentane-2,4-diol, 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 2.10 Å R-free 0.225
3BAK N298S mutant of Human Pancreatic Alpha-Amylase in complex with nitrate 提交 2007-11-08	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 16–511（496 aa）	突变：N298S 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 NO3 NITRATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% 2-methylpentane-2,4-diol, 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 1.90 Å R-free 0.206
3BAW Human pancreatic alpha-amylase complexed with azide 提交 2007-11-08	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 AZI AZIDE ION × 2 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% 2-methylpentane-2,4-diol, 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 2.00 Å R-free 0.214
3BAX N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Azide 提交 2007-11-08	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 16–511（496 aa）	突变：N298S 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 AZI AZIDE ION × 2 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% 2-methylpentane-2,4-diol, 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 1.90 Å R-free 0.190
3BAY N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose 提交 2007-11-08	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 16–511（496 aa）	突变：N298S 非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ARE ACARBOSE DERIVED PENTASACCHARIDE × 1 CA CALCIUM ION × 1 NO3 NITRATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% 2-methypentane-2,4-diol, 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 1.99 Å R-free 0.223
3CPU SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT 提交 1999-06-08	突变/修饰不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	突变：D300N 非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.00 Å
3IJ7 Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase 提交 2009-08-03	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）片段：Human Pancreatic alpha-amylase	非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；60% 2-methylpentane-2, 4-diol and 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 2.00 Å R-free 0.229
3IJ8 Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase 提交 2009-08-04	构建体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 16–511（496 aa）片段：human pancreatic alpha-amylase	非标准单体：是（mmCIF未提供具体位点）	B0D (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol × 3 B9D 5-fluoro-alpha-L-idopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；60% 2-methylpentane-2, 4-diol and 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 1.43 Å R-free 0.213
3IJ9 Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase 提交 2009-08-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）片段：human pancreatic alpha-amylase	非标准单体：是（mmCIF未提供具体位点）	B0D (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；60% 2-methylpentane-2, 4-diol and 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 1.85 Å R-free 0.207
3OLD Crystal structure of alpha-amylase in complex with acarviostatin I03 提交 2010-08-26	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 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	未记录	CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACI 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL × 1 PCA PYROGLUTAMIC ACID × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；60% 2-methylpentan-2,4 diol, 100mM cacodylate pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.00 Å R-free 0.194
3OLE Structures of human pancreatic alpha-amylase in complex with acarviostatin II03 提交 2010-08-26	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 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	未记录	CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACI 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL × 2 PCA PYROGLUTAMIC ACID × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；60% 2-methylpentan-2,4 diol, 100mM cacodylate pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.55 Å R-free 0.178
3OLG Structures of human pancreatic alpha-amylase in complex with acarviostatin III03 提交 2010-08-26	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 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	未记录	CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 HSD (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol × 2 PCA PYROGLUTAMIC ACID × 1 GLC alpha-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；60% 2-methylpentan-2,4 diol, 100mM cacodylate pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.30 Å R-free 0.216
3OLI Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03 提交 2010-08-26	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 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	未记录	CA CALCIUM ION × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 HSD (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol × 2 PCA PYROGLUTAMIC ACID × 1 BGC beta-D-glucopyranose × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；60% 2-methylpentan-2,4 diol, 100mM cacodylate pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.50 Å R-free 0.177
4GQQ Human pancreatic alpha-amylase with bound ethyl caffeate 提交 2012-08-23	构建体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 16–511（496 aa）片段：UNP residues 16-511	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 0XR ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate × 3 CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；100 mM sodium cacodylate, 60% MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 1.35 Å R-free 0.227
4GQR Human Pancreatic alpha-amylase in complex with myricetin 提交 2012-08-23	构建体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 16–511（496 aa）片段：UNP residues 16-511	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 MYC 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；60% MPD, 100 mM sodium cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	分辨率 1.20 Å R-free 0.198
4W93 Human pancreatic alpha-amylase in complex with montbretin A 提交 2014-08-27	构建体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 16–511（496 aa）片段：UNP residues 16-511	非标准单体：是（mmCIF未提供具体位点）	CA CALCIUM ION × 1 CL CHLORIDE ION × 1 3L9 Montbretin A × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；58% MPD, 100 mM sodium cacodylate	分辨率 1.35 Å R-free 0.211
4X9Y Wild-Type Human Pancreatic Alpha-Amylase at True Atomic Resolution (1.07 A) 提交 2014-12-11	构建体不同聚集状态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 16–511（496 aa）片段：UNP residues 16-511	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；58% MPD, 100 mM sodium cacodylate, Quercitrin was added to saturating conditions into the crystal droplet.	分辨率 1.07 Å R-free 0.132
5E0F Human pancreatic alpha-amylase in complex with mini-montbretin A 提交 2015-09-28	构建体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 16–511（496 aa）片段：UNP residues 16-511	非标准单体：是（mmCIF未提供具体位点）	5J7 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM sodium cacodylate, 58% MPD	分辨率 1.40 Å R-free 0.181
5EMY Human Pancreatic Alpha-Amylase in complex with the mechanism based inactivator glucosyl epi-cyclophellitol 提交 2015-11-06	构建体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 16–511（496 aa）片段：UNP residues 16-511	非标准单体：是（mmCIF未提供具体位点）	5QP (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM sodium cacodylate, 58% MPD, obtained crystals were soaked in 100mM glucosyl epi-cyclophellitol solution and incubated for up to two weeks to allow complex formation.	分辨率 1.23 Å R-free 0.142
5KEZ Selective and potent inhibition of the glycosidase human amylase by the short and extremely compact peptide piHA from mRNA display 提交 2016-06-10	构建体不同聚集状态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 × 2 PDB 声明：dimeric	链 A 16–511（496 aa）片段：UNP residues 16-511	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 7.5；293 K；53%-57% MPD, 0.1 M Na Cacodylate, pH 7.5	分辨率 1.83 Å R-free 0.208
5TD4 Starch binding sites on the Human pancreatic alpha amylase D300N variant complexed with an octaose substrate. 提交 2016-09-16	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）片段：UNP residues 16-511	突变：D300N 非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 7.5；293 K；MPD 50-58%, 0.1M sodium cacodylate. After crystal reached full size they were soaked in 200mM octaose for 24h prior to data collection, and then infused with a further aliquot of octaose just before freezing the complexed crystal in liquid nitrogen for use in X-ray diffraction analyses.	分辨率 2.30 Å R-free 0.189
5U3A Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase 提交 2016-12-01	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；MPD 57%, 0.1 M sodium cacodylate	分辨率 0.95 Å R-free 0.120
5VA9 Human pancreatic alpha amylase in complex with peptide inhibitor piHA-L5(d10Y) 提交 2017-03-24	聚集状态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 × 2 PDB 声明：dimeric	链 A 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；MPD 54%, 0.1 M sodium cacodylate.	分辨率 2.55 Å R-free 0.230
5VA9 Human pancreatic alpha amylase in complex with peptide inhibitor piHA-L5(d10Y) 提交 2017-03-24	聚集状态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 × 2 PDB 声明：dimeric	链 B 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；MPD 54%, 0.1 M sodium cacodylate.	分辨率 2.55 Å R-free 0.230
6OBX Montbretin A analogue M10-MbA in complex with Human pancreatic alpha-amylase 提交 2019-03-21	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 CA CALCIUM ION × 1 ZXU N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-L-tyrosinamide × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium cacodylate, 52-58% MPD	分辨率 1.30 Å R-free 0.123
6OCN Montbretin A analogue M06-MbA in complex with Human pancreatic alpha-amylase 提交 2019-03-25	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 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ZXY N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；100 mM sodium cacodylate, 52-58% MPD	分辨率 1.15 Å R-free 0.117
6Z8L Alpha-Amylase in complex with probe fragments 提交 2020-06-02	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 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 16–511（496 aa）	非标准单体：是（mmCIF未提供具体位点）	GLC alpha-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291.15 K；60 % MPD	分辨率 1.40 Å R-free 0.154

共 50 个其他 PDB 条目、51 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	AMYP_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–496； UniProt 16–511

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。

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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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	1b2y
沉积日期 deposition_date	1998-12-03
结构标题 title	STRUCTURE OF HUMAN PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE CARBOHYDRATE INHIBITOR ACARBOSE
关键词 keywords	HUMAN ALPHA-AMYLASE, ACARBOSE, HYDROLASE; HYDROLASE
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	23.91 Å
回转半径 Rg (电子) rg_electron	22.85 Å
零角强度 I(0) i0	55536300.00
分子量 molecular_weight	56738.0 kDa
排除体积 excluded_volume	70210 Å³
包络体积 envelope_volume	78214 Å³
水化壳体积 shell_volume	28230 Å³
包络直径 envelope_diameter	82.9 Å
壳层 Rg shell_rg	30.48 Å
包络 Rg envelope_rg	23.03 Å
形状 Rg shape_rg	22.84 Å
总 Rg total_rg	23.67 Å
总原子数 total_atoms	4002
残基数 n_residues	495
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	81.0 Å
Rg (实空间) rg_real	23.85 Å
Rg 误差 (实空间) rg_real_error	0.51 Å
I(0) (实空间) i0_real	5.5540e+07
I(0) 误差 (实空间) i0_real_error	7.5350e+05
Rg (倒空间) rg_reciprocal	23.87 Å
I(0) (倒空间) i0_reciprocal	55540000.0000
解质量估计 total_estimate	0.8708
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	29.1 Å
偏度 Skewness skewness	0.340
峰度 Kurtosis kurtosis	-0.210
角度范围 angular_range	— – 0.3300 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	11340000.0000
实空间数据点数 n_real_points	65
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.775; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.995

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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 (5)

实体 1 Entity 1 polymer

描述 description	Pancreatic alpha-amylase
分子量 formula_weight	55931.3 kDa
EC 编号 ec_number	3.2.1.1
来源方法 src_method	nat
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	4107

QYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVAIYNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVINHMCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIENYNDATQVRDCRLTGLLDLALEKDYVRSKIAEYMNHLIDIGVAGFRLDASKHMWPGDIKAILDKLHNLNSNWFPAGSKPFIYQEVIDLGGEPIKSSDYFGNGRVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWGFVPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWPRQFQNGNDVNDWVGPPNNNGVIKEVTINPDTTCGNDWVCEHRWRQIRNMVIFRNVVDGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWSFSLTLQTGLPAGTYCDVISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL

实体 2 Entity 2 branched

描述 description	;alpha-D-quinovopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose ;
分子量 formula_weight	791.7 kDa
来源方法 src_method	man
拷贝数 entity_count	1

实体 3 Entity 3 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	1

实体 4 Entity 4 non-polymer

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 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	105

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7. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d1b2ya1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.71 — Glycosyl hydrolase domain
超家族 Superfamily superfamily	b.71.1 — Glycosyl hydrolase domain
家族 Family family	b.71.1.1 — alpha-Amylases, C-terminal beta-sheet domain

结构域编号 domain_id	d1b2ya2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.8 — (Trans)glycosidases
家族 Family family	c.1.8.1 — Amylase, catalytic domain

CATH v4.4 (2 domains)

结构域编号 domain_id	1b2yA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	80 — Glycosidases

结构域编号 domain_id	1b2yA02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	1180 — Golgi alpha-mannosidase II

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8. 引用文献 (1)

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晶胞边长 a length_a	53.110 Å
晶胞边长 b length_b	75.100 Å
晶胞边长 c length_c	137.130 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	4

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	3.200 Å
最低分辨率 resolution_low	11.000 Å
R 因子 r_factor	0.1910
R_work r_work	0.1910
R_free r_free	0.2170

fit	/app/data/saxs_computation/b2/1b2y/1b2y.fit
pddf	/app/data/pr_computation/b2/1b2y/1b2y.pr.out
profile	/app/data/saxs_computation/b2/1b2y/1b2y.dat