1raa

CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY

Method: X-RAY DIFFRACTION

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

Aspartate carbamoyltransferase catalytic chain

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	蛋白异源复合物	异源复合物	蛋白 12	Aspartate carbamoyltransferase regulatory chain × 6 （P0A7F3） ZINC ION × 6 CYTIDINE-5'-TRIPHOSPHATE × 6 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	PYRB_ECOLI
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–310； UniProt 2–311 作者链 C； PDB构建体 1–310； UniProt 2–311

Aspartate carbamoyltransferase regulatory chain

Escherichia coli

UniProt P0A7F3

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	蛋白异源复合物	异源复合物	蛋白 12	Aspartate carbamoyltransferase catalytic chain × 6 （P0A786） ZINC ION × 6 CYTIDINE-5'-TRIPHOSPHATE × 6 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	PYRI_ECOLI
Isoform	—
PDB实体	2
链与序列区间	作者链 B； PDB构建体 1–153； UniProt 1–153 作者链 D； PDB构建体 1–153； UniProt 1–153

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	1raa
沉积日期 deposition_date	1992-08-14
结构标题 title	CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY
关键词 keywords	TRANSFERASE; 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。

1raa__assembly_1__model_1

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

下载该曲线 .dat

1raa__assembly_1__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

1raa__assembly_1__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	45.58 Å
Rg（电子密度）	44.62 Å
总 Rg	45.04 Å
原子数	21846
残基数	2778
排除体积	388580 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	`1raa__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 (5)

实体 1 Entity 1 polymer

描述 description	Aspartate carbamoyltransferase catalytic chain
分子量 formula_weight	34337.1 kDa
EC 编号 ec_number	2.1.3.2
来源方法 src_method	man
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,C
原子数 atom_count	7375

ANPLYQKHIISINDLSRDDLNLVLATAAKLKANPQPELLKHKVIASCFFEASTRTRLSFETSMHRLGASVVGFSDSANTSLGKKGETLADTISVISTYVDAIVMRHPQEGAARLATEFSGNVPVLNAGDGSNQHPTQTLLDLFTIQETQGRLDNLHVAMVGDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPQYILDMLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDPSEYANVKAQFVLRASDLHNAKANMKVLHPLPRVDEIATDVDKTPHAWYFQQAGNGIFARQALLALVLNRDLVL

来源 Source

来源生物 organism	Escherichia coli
NCBI 分类编号 ncbi_taxonomy_id	83333

实体 2 Entity 2 polymer

描述 description	Aspartate carbamoyltransferase regulatory chain
分子量 formula_weight	17143.6 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	B,D

MTHDNKLQVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQRITIGLNLPSGEMGRKDLIKIENTFLSEDQVDQLALYAPQATVNRIDNYEVVGKSRPSLPERIDNVLVCPNSNCISHAEPVSSSFAVRKRANDIALKCKYCEKEFSHNVVLAN

来源 Source

来源生物 organism	Escherichia coli
NCBI 分类编号 ncbi_taxonomy_id	83333

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	2

实体 4 Entity 4 non-polymer

描述 description	CYTIDINE-5'-TRIPHOSPHATE
分子量 formula_weight	483.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

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	93

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6. 折叠分类 (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

结构域编号 domain_id	d1raaa1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.78 — ATC-like
超家族 Superfamily superfamily	c.78.1 — Aspartate/ornithine carbamoyltransferase
家族 Family family	c.78.1.1 — Aspartate/ornithine carbamoyltransferase

结构域编号 domain_id	d1raaa2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.78 — ATC-like
超家族 Superfamily superfamily	c.78.1 — Aspartate/ornithine carbamoyltransferase
家族 Family family	c.78.1.1 — Aspartate/ornithine carbamoyltransferase

结构域编号 domain_id	d1raab1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.2 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
家族 Family family	d.58.2.1 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain

结构域编号 domain_id	d1raab2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.41 — Rubredoxin-like
超家族 Superfamily superfamily	g.41.7 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
家族 Family family	g.41.7.1 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain

结构域编号 domain_id	d1raac1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.78 — ATC-like
超家族 Superfamily superfamily	c.78.1 — Aspartate/ornithine carbamoyltransferase
家族 Family family	c.78.1.1 — Aspartate/ornithine carbamoyltransferase

结构域编号 domain_id	d1raac2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.78 — ATC-like
超家族 Superfamily superfamily	c.78.1 — Aspartate/ornithine carbamoyltransferase
家族 Family family	c.78.1.1 — Aspartate/ornithine carbamoyltransferase

结构域编号 domain_id	d1raad1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.58 — Ferredoxin-like
超家族 Superfamily superfamily	d.58.2 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain
家族 Family family	d.58.2.1 — Aspartate carbamoyltransferase, Regulatory-chain, N-terminal domain

结构域编号 domain_id	d1raad2
类 Class class	g — Small proteins
折叠类型 Fold fold	g.41 — Rubredoxin-like
超家族 Superfamily superfamily	g.41.7 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain
家族 Family family	g.41.7.1 — Aspartate carbamoyltransferase, Regulatory-chain, C-terminal domain

CATH v4.4 (8 domains)

结构域编号 domain_id	1raaA01
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	1370 — Aspartate/ornithine carbamoyltransferase

结构域编号 domain_id	1raaA02
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	1370 — Aspartate/ornithine carbamoyltransferase

结构域编号 domain_id	1raaB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	140 — Aspartate carbamoyltransferase regulatory subunit, N-terminal domain

结构域编号 domain_id	1raaB02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	20 — Aspartate carbamoyltransferase regulatory subunit, C-terminal domain

结构域编号 domain_id	1raaC01
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	1370 — Aspartate/ornithine carbamoyltransferase

结构域编号 domain_id	1raaC02
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	1370 — Aspartate/ornithine carbamoyltransferase

结构域编号 domain_id	1raaD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	70 — Alpha-Beta Plaits
同源超家族 H-superfamily homologous superfamily	140 — Aspartate carbamoyltransferase regulatory subunit, N-terminal domain

结构域编号 domain_id	1raaD02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	20 — Aspartate carbamoyltransferase regulatory subunit, C-terminal domain

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7. 引用文献 (6)

;Crystal structure of CTP-ligated T state aspartate transcarbamoylase at 2.5 A resolution: implications for ATCase mutants and the mechanism of negative cooperativity. ;

Proteins (1993)

PMID: 8441751 · DOI: 10.1002/prot.340150206 PRIMARY

;Structural Consequences of Effector Binding to the T State of Aspartate Carbamoyltransferase: Crystal Structures of the Unligated and ATP-and Ctp-Complexed Enzymes at 2.6 Angstroms Resolution ;

Biochemistry (1990)

Structural Asymmetry in the Ctp-Liganded Form of Aspartate Carbamoyltransferase from Escherichia Coli

J.Mol.Biol. (1987)

Location of Amino Acid Alterations in Mutants of Aspartate Transcarbamoylase: Structural Aspects of Interallelic Complementation

Proc.Natl.Acad.Sci.USA (1984)

;Nucleotide Sequence of the Structural Gene (Pyrb) that Encodes the Catalytic Polypeptide of Aspartate Transcarbamoylase of Escherichia Coli ;

Proc.Natl.Acad.Sci.USA (1983)

Amino Acid Sequence of the Catalytic Subunit of Aspartate Transcarbamoylase from Escherichia Coli

Proc.Natl.Acad.Sci.USA (1983)

晶胞边长 a length_a	122.130 Å
晶胞边长 b length_b	122.130 Å
晶胞边长 c length_c	142.510 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	120.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 3 2 1
空间群编号 int_tables_number	150
晶系 crystal_system	—

分辨率 resolution	2.500 Å
最低分辨率 resolution_low	— Å
R 因子 r_factor	0.1910
R_work r_work	0.1910
R_free r_free	—

CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY

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

Aspartate carbamoyltransferase catalytic chain

当前结构中的状态

数据库中的同蛋白其他状态

Aspartate carbamoyltransferase regulatory chain

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

1raa__assembly_1__model_1

1raa__assembly_1__model_1 | I(q)

1raa__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

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 polymer

聚合物 Polymer

来源 Source

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) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. 引用文献 (6)

CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY

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

Aspartate carbamoyltransferase catalytic chain

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

Aspartate carbamoyltransferase regulatory chain

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

1raa__assembly_1__model_1

1raa__assembly_1__model_1 | I(q)

1raa__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

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 polymer

聚合物 Polymer

来源 Source

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) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. 引用文献 (6)