2wvj

Mutation of Thr163 to Ser in Human Thymidine Kinase Shifts the Specificity from Thymidine towards the Nucleoside Analogue Azidothymidine

Method: X-RAY DIFFRACTION

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

THYMIDINE KINASE, CYTOSOLIC

HOMO SAPIENS

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 4	THYMIDINE-5'-TRIPHOSPHATE × 4 ZINC ION × 4 MAGNESIUM ION × 1 water × 4	与蛋白数一致
2	蛋白同源多聚体	同源多聚体	蛋白 4	THYMIDINE-5'-TRIPHOSPHATE × 4 ZINC ION × 4 MAGNESIUM ION × 2 water × 4	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	KITH_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–193； UniProt 1–193 作者链 B； PDB构建体 1–193； UniProt 1–193 作者链 C； PDB构建体 1–193； UniProt 1–193 作者链 D； PDB构建体 1–193； UniProt 1–193 作者链 E； PDB构建体 1–193； UniProt 1–193 作者链 F； PDB构建体 1–193； UniProt 1–193 作者链 G； PDB构建体 1–193； UniProt 1–193 作者链 H； PDB构建体 1–193； UniProt 1–193

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	2wvj
沉积日期 deposition_date	2009-10-17
结构标题 title	Mutation of Thr163 to Ser in Human Thymidine Kinase Shifts the Specificity from Thymidine towards the Nucleoside Analogue Azidothymidine
关键词 keywords	;ZINC-BINDING DOMAIN, DEOXYRIBONUCLEOSIDE KINASE, FEEDBACK INHIBITOR, NUCLEOTIDE-BINDING, KINASE, CYTOPLASM, TRANSFERASE, ATP-BINDING, DNA SYNTHESIS, PHOSPHOPROTEIN, PHOSPHORYLATION ;; TRANSFERASE
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。

2wvj__assembly_1__model_1

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

下载该曲线 .dat

2wvj__assembly_1__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

2wvj__assembly_1__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	25.24 Å
Rg（电子密度）	24.43 Å
总 Rg	25.28 Å
原子数	5100
残基数	643
排除体积	91954 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	`2wvj__assembly_1__model_1`	tetrameric （4）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
2	1	`2wvj__assembly_2__model_1`	tetrameric （4）	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 (5)

实体 1 Entity 1 polymer

描述 description	THYMIDINE KINASE, CYTOSOLIC
分子量 formula_weight	21313.0 kDa
EC 编号 ec_number	2.7.1.21
突变 mutation	YES
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	11307

MSCINLPTVLPGSPSKTRGQIQVILGPMFSGKSTELMRRVRRFQIAQYKCLVIKYAKDTRYSSSFCTHDRNTMEALPACLLRDVAQEALGVAVIGIDEGQFFPDIVEFCEAMANAGKTVIVAALDGTFQRKPFGAILNLVPLAESVVKLTAVCMECFREAAYSKRLGTEKEVEVIGGADKYHSVCRLCYFKKA

来源 Source

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	ESCHERICHIA COLI

实体 2 Entity 2 non-polymer

描述 description	THYMIDINE-5'-TRIPHOSPHATE
分子量 formula_weight	482.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

实体 3 Entity 3 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

实体 4 Entity 4 non-polymer

描述 description	MAGNESIUM ION
分子量 formula_weight	24.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	3

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	1074

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6. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

结构域编号 domain_id	d2wvja1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.24 — Type II thymidine kinase

结构域编号 domain_id	d2wvja2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.39 — Glucocorticoid receptor-like (DNA-binding domain)
超家族 Superfamily superfamily	g.39.1 — Glucocorticoid receptor-like (DNA-binding domain)
家族 Family family	g.39.1.0 — automated matches

结构域编号 domain_id	d2wvjb1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.24 — Type II thymidine kinase

结构域编号 domain_id	d2wvjb2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.39 — Glucocorticoid receptor-like (DNA-binding domain)
超家族 Superfamily superfamily	g.39.1 — Glucocorticoid receptor-like (DNA-binding domain)
家族 Family family	g.39.1.0 — automated matches

结构域编号 domain_id	d2wvjc1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.24 — Type II thymidine kinase

结构域编号 domain_id	d2wvjc2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.39 — Glucocorticoid receptor-like (DNA-binding domain)
超家族 Superfamily superfamily	g.39.1 — Glucocorticoid receptor-like (DNA-binding domain)
家族 Family family	g.39.1.0 — automated matches

结构域编号 domain_id	d2wvjd1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.24 — Type II thymidine kinase

结构域编号 domain_id	d2wvjd2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.39 — Glucocorticoid receptor-like (DNA-binding domain)
超家族 Superfamily superfamily	g.39.1 — Glucocorticoid receptor-like (DNA-binding domain)
家族 Family family	g.39.1.0 — automated matches

结构域编号 domain_id	d2wvje1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.24 — Type II thymidine kinase

结构域编号 domain_id	d2wvje2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.39 — Glucocorticoid receptor-like (DNA-binding domain)
超家族 Superfamily superfamily	g.39.1 — Glucocorticoid receptor-like (DNA-binding domain)
家族 Family family	g.39.1.0 — automated matches

结构域编号 domain_id	d2wvjf1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.24 — Type II thymidine kinase

结构域编号 domain_id	d2wvjf2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.39 — Glucocorticoid receptor-like (DNA-binding domain)
超家族 Superfamily superfamily	g.39.1 — Glucocorticoid receptor-like (DNA-binding domain)
家族 Family family	g.39.1.0 — automated matches

结构域编号 domain_id	d2wvjg1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.24 — Type II thymidine kinase

结构域编号 domain_id	d2wvjg2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.39 — Glucocorticoid receptor-like (DNA-binding domain)
超家族 Superfamily superfamily	g.39.1 — Glucocorticoid receptor-like (DNA-binding domain)
家族 Family family	g.39.1.0 — automated matches

结构域编号 domain_id	d2wvjh1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family family	c.37.1.24 — Type II thymidine kinase

结构域编号 domain_id	d2wvjh2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.39 — Glucocorticoid receptor-like (DNA-binding domain)
超家族 Superfamily superfamily	g.39.1 — Glucocorticoid receptor-like (DNA-binding domain)
家族 Family family	g.39.1.0 — automated matches

CATH v4.4 (16 domains)

结构域编号 domain_id	2wvjA01
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	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	2wvjA02
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	20 —

结构域编号 domain_id	2wvjB01
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	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	2wvjB02
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	20 —

结构域编号 domain_id	2wvjC01
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	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	2wvjC02
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	20 —

结构域编号 domain_id	2wvjD01
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	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	2wvjD02
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	20 —

结构域编号 domain_id	2wvjE01
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	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	2wvjE02
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	20 —

结构域编号 domain_id	2wvjF01
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	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	2wvjF02
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	20 —

结构域编号 domain_id	2wvjG01
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	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	2wvjG02
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	20 —

结构域编号 domain_id	2wvjH01
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	300 — P-loop containing nucleotide triphosphate hydrolases

结构域编号 domain_id	2wvjH02
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	20 —

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晶胞边长 a length_a	156.902 Å
晶胞边长 b length_b	123.252 Å
晶胞边长 c length_c	121.024 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	132.98 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	32

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	2.200 Å
最低分辨率 resolution_low	49.814 Å
R 因子 r_factor	0.1760
R_work r_work	0.1733
R_free r_free	0.2209

Mutation of Thr163 to Ser in Human Thymidine Kinase Shifts the Specificity from Thymidine towards the Nucleoside Analogue Azidothymidine

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

THYMIDINE KINASE, CYTOSOLIC

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

2wvj__assembly_1__model_1

2wvj__assembly_1__model_1 | I(q)

2wvj__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 (5)

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 non-polymer

实体 5 Entity 5 water

6. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

CATH v4.4 (16 domains)

7. 引用文献 (1)

Mutation of Thr163 to Ser in Human Thymidine Kinase Shifts the Specificity from Thymidine towards the Nucleoside Analogue Azidothymidine

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

THYMIDINE KINASE, CYTOSOLIC

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

2wvj__assembly_1__model_1

2wvj__assembly_1__model_1 | I(q)

2wvj__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 (5)

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 non-polymer

实体 5 Entity 5 water

6. 折叠分类 (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

CATH v4.4 (16 domains)

7. 引用文献 (1)