1v1j

Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro

Method: X-RAY DIFFRACTION

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

3-DEHYDROQUINATE DEHYDRATASE

STREPTOMYCES COELICOLOR

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 12	2-ANHYDRO-3-FLUORO-QUINIC ACID × 12 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 4 water × 12	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	AROQ_STRCO
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 2–157； UniProt 1–156 作者链 B； PDB构建体 2–157； UniProt 1–156 作者链 C； PDB构建体 2–157； UniProt 1–156 作者链 D； PDB构建体 2–157； UniProt 1–156 作者链 E； PDB构建体 2–157； UniProt 1–156 作者链 F； PDB构建体 2–157； UniProt 1–156 作者链 G； PDB构建体 2–157； UniProt 1–156 作者链 H； PDB构建体 2–157； UniProt 1–156 作者链 I； PDB构建体 2–157； UniProt 1–156 作者链 J； PDB构建体 2–157； UniProt 1–156 作者链 K； PDB构建体 2–157； UniProt 1–156 作者链 L； PDB构建体 2–157； UniProt 1–156

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	1v1j
沉积日期 deposition_date	2004-04-16
结构标题 title	Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro
关键词 keywords	DHQ, SHIKIMATE, DEHYDROQUINASE, AROMATIC AMINO ACID BIOSYNTHESIS, LYASE; LYASE
实验方法 method	X-RAY DIFFRACTION

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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。

1v1j__assembly_1__model_1

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

下载该曲线 .dat

1v1j__assembly_1__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

1v1j__assembly_1__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	36.26 Å
Rg（电子密度）	35.36 Å
总 Rg	36.07 Å
原子数	13676
残基数	1800
排除体积	239910 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	`1v1j__assembly_1__model_1`	dodecameric （12）	成功	4.1.3-1-20251215 (887e7ef)	查看下载

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

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5. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

描述 description	3-DEHYDROQUINATE DEHYDRATASE
分子量 formula_weight	16700.8 kDa
EC 编号 ec_number	4.2.1.10
来源方法 src_method	man
拷贝数 entity_count	12

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,I,J,K,L
原子数 atom_count	14496

MPRSLANAPIMILNGPNLNLLGQRQPEIYGSDTLADVEALCVKAAAAHGGTVDFRQSNHEGELVDWIHEARLNHCGIVINPAAYSHTSVAILDALNTCDGLPVVEVHISNIHQREPFRHHSYVSQRADGVVAGCGVQGYVFGVERIAALAGAGSARA

来源 Source

来源生物 organism	STREPTOMYCES COELICOLOR
NCBI 分类编号 ncbi_taxonomy_id	1902
宿主生物 host_organism	ESCHERICHIA COLI

实体 2 Entity 2 non-polymer

描述 description	2-ANHYDRO-3-FLUORO-QUINIC ACID
分子量 formula_weight	192.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	12

实体 3 Entity 3 non-polymer

描述 description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
分子量 formula_weight	122.1 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	700

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6. 折叠分类 (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

结构域编号 domain_id	d1v1ja_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jb_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jc_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jd_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1je_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jf_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jg_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jh_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1ji_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jj_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jk_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

结构域编号 domain_id	d1v1jl_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.23 — Flavodoxin-like
超家族 Superfamily superfamily	c.23.13 — Type II 3-dehydroquinate dehydratase
家族 Family family	c.23.13.1 — Type II 3-dehydroquinate dehydratase

CATH v4.4 (12 domains)

结构域编号 domain_id	1v1jA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jB00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jC00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jD00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jE00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jF00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jG00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jH00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jI00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jJ00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jK00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

结构域编号 domain_id	1v1jL00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	9100 — Dehydroquinase, class II

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晶胞边长 a length_a	116.475 Å
晶胞边长 b length_b	138.941 Å
晶胞边长 c length_c	141.925 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	48

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	2.200 Å
最低分辨率 resolution_low	20.000 Å
R 因子 r_factor	0.2175
R_work r_work	0.2151
R_free r_free	0.2381

Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro

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

3-DEHYDROQUINATE DEHYDRATASE

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

1v1j__assembly_1__model_1

1v1j__assembly_1__model_1 | I(q)

1v1j__assembly_1__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) 24 domains

SCOP 2.08 (12 domains)

CATH v4.4 (12 domains)

7. 引用文献 (1)

Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro

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

3-DEHYDROQUINATE DEHYDRATASE

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

1v1j__assembly_1__model_1

1v1j__assembly_1__model_1 | I(q)

1v1j__assembly_1__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) 24 domains

SCOP 2.08 (12 domains)

CATH v4.4 (12 domains)

7. 引用文献 (1)