1sej

Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP

Method: X-RAY DIFFRACTION

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

bifunctional dihydrofolate reductase-thymidylate synthase

Cryptosporidium hominis

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	;2'-DEOXYURIDINE 5'-MONOPHOSPHATE ; × 2 S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID × 4 NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 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	;2'-DEOXYURIDINE 5'-MONOPHOSPHATE ; × 2 S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID × 4 NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2 water × 2	与蛋白数一致
3	蛋白同源多聚体	同源多聚体	蛋白 2	;2'-DEOXYURIDINE 5'-MONOPHOSPHATE ; × 2 S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID × 4 NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 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	Q27552_CRYPV
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–521； UniProt 1–521 作者链 B； PDB构建体 1–521； UniProt 1–521 作者链 C； PDB构建体 1–521； UniProt 1–521 作者链 D； PDB构建体 1–521； UniProt 1–521 作者链 E； PDB构建体 1–521； UniProt 1–521

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	1sej
沉积日期 deposition_date	2004-02-17
结构标题 title	Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP
关键词 keywords	bifunctional enzyme, TRANSFERASE, OXIDOREDUCTASE; TRANSFERASE, OXIDOREDUCTASE
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。

1sej__assembly_2__model_1

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

下载该曲线 .dat

1sej__assembly_2__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

1sej__assembly_2__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	33.32 Å
Rg（电子密度）	32.29 Å
总 Rg	32.85 Å
原子数	8730
残基数	1038
排除体积	155000 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	`1sej__assembly_1__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
2	1	`1sej__assembly_2__model_1`	dimeric （2）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
3	1	`1sej__assembly_3__model_1`	dimeric （2）	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	bifunctional dihydrofolate reductase-thymidylate synthase
分子量 formula_weight	60262.5 kDa
EC 编号 ec_number	2.1.1.45, 1.5.1.3
来源方法 src_method	man
拷贝数 entity_count	5

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E
原子数 atom_count	22194

MSEKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDEADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTFCTKNISYDFMIFEKQEKKTLQNCDPARGQLKSIDDTVDLLGEIFGIRKMGNRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAYRENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFEELIWFIKGDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHREENDLGPIYGFQWRHYNGEYKTMHDDYTGVGVDQLAKLIETLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTNDNCLSCNLYQRSCDLGLGSPFNIASYAILTMMLAQVCGYEPGELAIFIGDAHIYENHLTQLKEQLSRTPRPFPQLKFKRKVENIEDFKWEDIELIGYYPYPTIKMDMAV

来源 Source

来源生物 organism	Cryptosporidium hominis
NCBI 分类编号 ncbi_taxonomy_id	237895
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	;2'-DEOXYURIDINE 5'-MONOPHOSPHATE ;
分子量 formula_weight	308.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

实体 3 Entity 3 non-polymer

描述 description	S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID
分子量 formula_weight	500.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	10

实体 4 Entity 4 non-polymer

描述 description	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
分子量 formula_weight	745.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

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	369

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6. 折叠分类 (SCOP + CATH) 25 domains

SCOP 2.08 (10 domains)

结构域编号 domain_id	d1seja1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.71 — Dihydrofolate reductase-like
超家族 Superfamily superfamily	c.71.1 — Dihydrofolate reductase-like
家族 Family family	c.71.1.1 — Dihydrofolate reductases

结构域编号 domain_id	d1seja2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.117 — Thymidylate synthase/dCMP hydroxymethylase
超家族 Superfamily superfamily	d.117.1 — Thymidylate synthase/dCMP hydroxymethylase
家族 Family family	d.117.1.1 — Thymidylate synthase/dCMP hydroxymethylase

结构域编号 domain_id	d1sejb1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.71 — Dihydrofolate reductase-like
超家族 Superfamily superfamily	c.71.1 — Dihydrofolate reductase-like
家族 Family family	c.71.1.1 — Dihydrofolate reductases

结构域编号 domain_id	d1sejb2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.117 — Thymidylate synthase/dCMP hydroxymethylase
超家族 Superfamily superfamily	d.117.1 — Thymidylate synthase/dCMP hydroxymethylase
家族 Family family	d.117.1.1 — Thymidylate synthase/dCMP hydroxymethylase

结构域编号 domain_id	d1sejc1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.71 — Dihydrofolate reductase-like
超家族 Superfamily superfamily	c.71.1 — Dihydrofolate reductase-like
家族 Family family	c.71.1.1 — Dihydrofolate reductases

结构域编号 domain_id	d1sejc2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.117 — Thymidylate synthase/dCMP hydroxymethylase
超家族 Superfamily superfamily	d.117.1 — Thymidylate synthase/dCMP hydroxymethylase
家族 Family family	d.117.1.1 — Thymidylate synthase/dCMP hydroxymethylase

结构域编号 domain_id	d1sejd1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.71 — Dihydrofolate reductase-like
超家族 Superfamily superfamily	c.71.1 — Dihydrofolate reductase-like
家族 Family family	c.71.1.1 — Dihydrofolate reductases

结构域编号 domain_id	d1sejd2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.117 — Thymidylate synthase/dCMP hydroxymethylase
超家族 Superfamily superfamily	d.117.1 — Thymidylate synthase/dCMP hydroxymethylase
家族 Family family	d.117.1.1 — Thymidylate synthase/dCMP hydroxymethylase

结构域编号 domain_id	d1seje1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.71 — Dihydrofolate reductase-like
超家族 Superfamily superfamily	c.71.1 — Dihydrofolate reductase-like
家族 Family family	c.71.1.1 — Dihydrofolate reductases

结构域编号 domain_id	d1seje2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.117 — Thymidylate synthase/dCMP hydroxymethylase
超家族 Superfamily superfamily	d.117.1 — Thymidylate synthase/dCMP hydroxymethylase
家族 Family family	d.117.1.1 — Thymidylate synthase/dCMP hydroxymethylase

CATH v4.4 (15 domains)

结构域编号 domain_id	1sejA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	430 — Dihydrofolate Reductase, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Dihydrofolate Reductase, subunit A

结构域编号 domain_id	1sejA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejA03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	430 — Dihydrofolate Reductase, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Dihydrofolate Reductase, subunit A

结构域编号 domain_id	1sejB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejB03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	430 — Dihydrofolate Reductase, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Dihydrofolate Reductase, subunit A

结构域编号 domain_id	1sejC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejC03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	430 — Dihydrofolate Reductase, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Dihydrofolate Reductase, subunit A

结构域编号 domain_id	1sejD02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejD03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	430 — Dihydrofolate Reductase, subunit A
同源超家族 H-superfamily homologous superfamily	10 — Dihydrofolate Reductase, subunit A

结构域编号 domain_id	1sejE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

结构域编号 domain_id	1sejE03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	572 — Thymidylate Synthase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

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晶胞边长 a length_a	214.900 Å
晶胞边长 b length_b	116.300 Å
晶胞边长 c length_c	219.700 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	95.23 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	20

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	2.870 Å
最低分辨率 resolution_low	45.150 Å
R 因子 r_factor	0.2200
R_work r_work	0.2200
R_free r_free	0.2370

Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP

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

bifunctional dihydrofolate reductase-thymidylate synthase

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

1sej__assembly_2__model_1

1sej__assembly_2__model_1 | I(q)

1sej__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 (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) 25 domains

SCOP 2.08 (10 domains)

CATH v4.4 (15 domains)

7. 引用文献 (1)

Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP

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

bifunctional dihydrofolate reductase-thymidylate synthase

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

1sej__assembly_2__model_1

1sej__assembly_2__model_1 | I(q)

1sej__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 (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) 25 domains

SCOP 2.08 (10 domains)

CATH v4.4 (15 domains)

7. 引用文献 (1)