1s20

A novel NAD binding protein revealed by the crystal structure of E. Coli 2,3-diketogulonate reductase (YiaK) NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82

Method: X-RAY DIFFRACTION

▼

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

Hypothetical oxidoreductase yiaK

Escherichia coli

当前结构中的状态

Assembly	物理组成	蛋白状态	分子拷贝数	共同组分	数据核对
1	蛋白同源多聚体	同源多聚体	蛋白 2	L(+)-TARTARIC ACID × 2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 water × 2	与蛋白数一致
2	蛋白同源多聚体	同源多聚体	蛋白 2	L(+)-TARTARIC ACID × 1 NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 water × 2	与蛋白数一致
3	蛋白同源多聚体	同源多聚体	蛋白 2	L(+)-TARTARIC ACID × 1 NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 water × 2	与蛋白数一致
4	蛋白同源多聚体	同源多聚体	蛋白 2	L(+)-TARTARIC ACID × 2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2 water × 2	与蛋白数一致

数据库中的同蛋白其他状态

查看构建体与数据证据

UniProt名称	YIAK_ECOLI
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–332； UniProt 1–332 作者链 B； PDB构建体 1–332； UniProt 1–332 作者链 C； PDB构建体 1–332； UniProt 1–332 作者链 D； PDB构建体 1–332； UniProt 1–332 作者链 E； PDB构建体 1–332； UniProt 1–332 作者链 F； PDB构建体 1–332； UniProt 1–332 作者链 G； PDB构建体 1–332； UniProt 1–332 作者链 H； PDB构建体 1–332； UniProt 1–332

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。

▼

2. 结构基本信息 2. Structure Basics

条目编号 entry_id	1s20
沉积日期 deposition_date	2004-01-07
结构标题 title	A novel NAD binding protein revealed by the crystal structure of E. Coli 2,3-diketogulonate reductase (YiaK) NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82
关键词 keywords	;alpha beta dimeric protein, OXIDOREDUCTASE, Structural Genomics, PSI-2, Protein Structure Initiative, Northeast Structural Genomics Consortium, NESG ;; OXIDOREDUCTASE
实验方法 method	X-RAY DIFFRACTION

▼

3. Official assembly/model 理论 SAXS Official SAXS Profiles

页面只读取最新 assembly 计算结果。每一条曲线都对应明确的 PDB、official biological assembly 和 coordinate model。

1s20__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

下载该曲线 .dat

1s20__assembly_2__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

1s20__assembly_2__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	25.68 Å
Rg（电子密度）	24.72 Å
总 Rg	25.18 Å
原子数	5212
残基数	638
排除体积	92729 Å³
最大 q	0.500 Å⁻¹

Assembly	Model	结构单元	聚集说明	状态	CRYSOL	操作
1	1	`1s20__assembly_1__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
2	1	`1s20__assembly_2__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
3	1	`1s20__assembly_3__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
4	1	`1s20__assembly_4__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载

▶

4. 晶体学与实验 4. Crystallography & Experiment

▶

5. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

描述 description	Hypothetical oxidoreductase yiaK
分子量 formula_weight	38385.2 kDa
EC 编号 ec_number	1.1.1.-
来源方法 src_method	man
拷贝数 entity_count	8

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H
原子数 atom_count	22358

MKVTFEQLKAAFNRVLISRGVDSETADACAEMFARTTESGVYSHGVNRFPRFIQQLENGDIIPDAQPKRITSLGAIEQWDAQRSIGNLTAKKMMDRAIELAADHGIGLVALRNANHWMRGGSYGWQAAEKGYIGICWTNSIAVMPPWGAKECRIGTNPLIVAIPSTPITMVDMSMSMFSYGMLEVNRLAGRQLPVDGGFDDEGNLTKEPGVIEKNRRILPMGYWKGSGMSIVLDMIATLLSDGASVAEVTQDNSDEYGISQIFIAIEVDKLIDGPTRDAKLQRIMDYVTSAERADENQAIRLPGHEFTTLLAENRRNGITVDDSVWAKIQALLEHHHHHH

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

实体 2 Entity 2 non-polymer

描述 description	L(+)-TARTARIC ACID
分子量 formula_weight	150.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

实体 3 Entity 3 non-polymer

描述 description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
分子量 formula_weight	663.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

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	1401

▼

6. 折叠分类 (SCOP + CATH) 40 domains

SCOP 2.08 (16 domains)

结构域编号 domain_id	d1s20a1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.122 — L-sulfolactate dehydrogenase-like
超家族 Superfamily superfamily	c.122.1 — L-sulfolactate dehydrogenase-like
家族 Family family	c.122.1.1 — L-sulfolactate dehydrogenase-like

结构域编号 domain_id	d1s20a2
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	d1s20b1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.122 — L-sulfolactate dehydrogenase-like
超家族 Superfamily superfamily	c.122.1 — L-sulfolactate dehydrogenase-like
家族 Family family	c.122.1.1 — L-sulfolactate dehydrogenase-like

结构域编号 domain_id	d1s20b2
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	d1s20c1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.122 — L-sulfolactate dehydrogenase-like
超家族 Superfamily superfamily	c.122.1 — L-sulfolactate dehydrogenase-like
家族 Family family	c.122.1.1 — L-sulfolactate dehydrogenase-like

结构域编号 domain_id	d1s20c2
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	d1s20d1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.122 — L-sulfolactate dehydrogenase-like
超家族 Superfamily superfamily	c.122.1 — L-sulfolactate dehydrogenase-like
家族 Family family	c.122.1.1 — L-sulfolactate dehydrogenase-like

结构域编号 domain_id	d1s20d2
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	d1s20e1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.122 — L-sulfolactate dehydrogenase-like
超家族 Superfamily superfamily	c.122.1 — L-sulfolactate dehydrogenase-like
家族 Family family	c.122.1.1 — L-sulfolactate dehydrogenase-like

结构域编号 domain_id	d1s20e2
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	d1s20f1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.122 — L-sulfolactate dehydrogenase-like
超家族 Superfamily superfamily	c.122.1 — L-sulfolactate dehydrogenase-like
家族 Family family	c.122.1.1 — L-sulfolactate dehydrogenase-like

结构域编号 domain_id	d1s20f2
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	d1s20g1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.122 — L-sulfolactate dehydrogenase-like
超家族 Superfamily superfamily	c.122.1 — L-sulfolactate dehydrogenase-like
家族 Family family	c.122.1.1 — L-sulfolactate dehydrogenase-like

结构域编号 domain_id	d1s20g2
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	d1s20h1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.122 — L-sulfolactate dehydrogenase-like
超家族 Superfamily superfamily	c.122.1 — L-sulfolactate dehydrogenase-like
家族 Family family	c.122.1.1 — L-sulfolactate dehydrogenase-like

结构域编号 domain_id	d1s20h2
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

CATH v4.4 (24 domains)

结构域编号 domain_id	1s20A01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1530 — Hypothetical Oxidoreductase Yiak; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Malate/L-lactate/L-sulpholactate dehydrogenase, four-helix barrel

结构域编号 domain_id	1s20A02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1370 — Ribosomal Protein S8; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	60 — Malate/L-lactate/L-sulpholactate dehydrogenase, NADPH binding domain

结构域编号 domain_id	1s20A03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	50 — Hypothetical oxidoreductase yiak; domain 3

结构域编号 domain_id	1s20B01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1530 — Hypothetical Oxidoreductase Yiak; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Malate/L-lactate/L-sulpholactate dehydrogenase, four-helix barrel

结构域编号 domain_id	1s20B02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1370 — Ribosomal Protein S8; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	60 — Malate/L-lactate/L-sulpholactate dehydrogenase, NADPH binding domain

结构域编号 domain_id	1s20B03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	50 — Hypothetical oxidoreductase yiak; domain 3

结构域编号 domain_id	1s20C01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1530 — Hypothetical Oxidoreductase Yiak; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Malate/L-lactate/L-sulpholactate dehydrogenase, four-helix barrel

结构域编号 domain_id	1s20C02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1370 — Ribosomal Protein S8; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	60 — Malate/L-lactate/L-sulpholactate dehydrogenase, NADPH binding domain

结构域编号 domain_id	1s20C03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	50 — Hypothetical oxidoreductase yiak; domain 3

结构域编号 domain_id	1s20D01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1530 — Hypothetical Oxidoreductase Yiak; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Malate/L-lactate/L-sulpholactate dehydrogenase, four-helix barrel

结构域编号 domain_id	1s20D02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1370 — Ribosomal Protein S8; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	60 — Malate/L-lactate/L-sulpholactate dehydrogenase, NADPH binding domain

结构域编号 domain_id	1s20D03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	50 — Hypothetical oxidoreductase yiak; domain 3

结构域编号 domain_id	1s20E01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1530 — Hypothetical Oxidoreductase Yiak; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Malate/L-lactate/L-sulpholactate dehydrogenase, four-helix barrel

结构域编号 domain_id	1s20E02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1370 — Ribosomal Protein S8; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	60 — Malate/L-lactate/L-sulpholactate dehydrogenase, NADPH binding domain

结构域编号 domain_id	1s20E03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	50 — Hypothetical oxidoreductase yiak; domain 3

结构域编号 domain_id	1s20F01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1530 — Hypothetical Oxidoreductase Yiak; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Malate/L-lactate/L-sulpholactate dehydrogenase, four-helix barrel

结构域编号 domain_id	1s20F02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1370 — Ribosomal Protein S8; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	60 — Malate/L-lactate/L-sulpholactate dehydrogenase, NADPH binding domain

结构域编号 domain_id	1s20F03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	50 — Hypothetical oxidoreductase yiak; domain 3

结构域编号 domain_id	1s20G01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1530 — Hypothetical Oxidoreductase Yiak; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Malate/L-lactate/L-sulpholactate dehydrogenase, four-helix barrel

结构域编号 domain_id	1s20G02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1370 — Ribosomal Protein S8; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	60 — Malate/L-lactate/L-sulpholactate dehydrogenase, NADPH binding domain

结构域编号 domain_id	1s20G03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	50 — Hypothetical oxidoreductase yiak; domain 3

结构域编号 domain_id	1s20H01
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	1530 — Hypothetical Oxidoreductase Yiak; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	10 — Malate/L-lactate/L-sulpholactate dehydrogenase, four-helix barrel

结构域编号 domain_id	1s20H02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1370 — Ribosomal Protein S8; Chain: A, domain 1
同源超家族 H-superfamily homologous superfamily	60 — Malate/L-lactate/L-sulpholactate dehydrogenase, NADPH binding domain

结构域编号 domain_id	1s20H03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	60 — Wheat Germ Agglutinin (Isolectin 2); domain 1
同源超家族 H-superfamily homologous superfamily	50 — Hypothetical oxidoreductase yiak; domain 3

▶

晶胞边长 a length_a	75.524 Å
晶胞边长 b length_b	81.275 Å
晶胞边长 c length_c	113.215 Å
晶胞夹角 α angle_alpha	79.55 °
晶胞夹角 β angle_beta	77.22 °
晶胞夹角 γ angle_gamma	82.01 °
晶胞分子数 Z z_pdb	8

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

分辨率 resolution	2.200 Å
最低分辨率 resolution_low	24.020 Å
R 因子 r_factor	0.1900
R_work r_work	0.1910
R_free r_free	0.2500

A novel NAD binding protein revealed by the crystal structure of E. Coli 2,3-diketogulonate reductase (YiaK) NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82

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

Hypothetical oxidoreductase yiaK

当前结构中的状态

数据库中的同蛋白其他状态

2. 结构基本信息 2. Structure Basics

3. Official assembly/model 理论 SAXS Official SAXS Profiles

1s20__assembly_2__model_1

1s20__assembly_2__model_1 | I(q)

1s20__assembly_2__model_1 | P(r) · Pending

4. 晶体学与实验 4. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

5. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 non-polymer

实体 3 Entity 3 non-polymer

实体 4 Entity 4 water

6. 折叠分类 (SCOP + CATH) 40 domains

SCOP 2.08 (16 domains)

CATH v4.4 (24 domains)

7. 引用文献 (1)

A novel NAD binding protein revealed by the crystal structure of E. Coli 2,3-diketogulonate reductase (YiaK) NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82

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

Hypothetical oxidoreductase yiaK

当前结构中的状态

数据库中的同蛋白其他状态

单体

同源二聚体

同源四聚体

其他同源多聚体

异源或核酸复合物

2. 结构基本信息 2. Structure Basics

3. Official assembly/model 理论 SAXS Official SAXS Profiles

1s20__assembly_2__model_1

1s20__assembly_2__model_1 | I(q)

1s20__assembly_2__model_1 | P(r) · Pending

4. 晶体学与实验 4. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

5. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 non-polymer

实体 3 Entity 3 non-polymer

实体 4 Entity 4 water

6. 折叠分类 (SCOP + CATH) 40 domains

SCOP 2.08 (16 domains)

CATH v4.4 (24 domains)

7. 引用文献 (1)