3git

Crystal structure of a truncated acetyl-CoA synthase

Method: X-RAY DIFFRACTION

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

Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha

Moorella thermoacetica

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	蛋白单体	单体	蛋白 1	IRON/SULFUR CLUSTER × 1 ZINC ION × 1 HYDROSULFURIC ACID × 1 SULFATE ION × 5 GLYCEROL × 1 water × 1	与蛋白数一致
2	蛋白单体	单体	蛋白 1	IRON/SULFUR CLUSTER × 1 ZINC ION × 1 HYDROSULFURIC ACID × 1 SULFATE ION × 4 GLYCEROL × 1 water × 1	与蛋白数一致
3	蛋白单体	单体	蛋白 1	IRON/SULFUR CLUSTER × 1 ZINC ION × 1 HYDROSULFURIC ACID × 1 SULFATE ION × 4 GLYCEROL × 1 water × 1	与蛋白数一致
4	蛋白单体	单体	蛋白 1	IRON/SULFUR CLUSTER × 1 ZINC ION × 1 HYDROSULFURIC ACID × 1 SULFATE ION × 4 GLYCEROL × 1 water × 1	与蛋白数一致
5	蛋白单体	单体	蛋白 1	IRON/SULFUR CLUSTER × 1 ZINC ION × 1 HYDROSULFURIC ACID × 1 SULFATE ION × 3 GLYCEROL × 1 water × 1	与蛋白数一致
6	蛋白单体	单体	蛋白 1	IRON/SULFUR CLUSTER × 1 ZINC ION × 1 HYDROSULFURIC ACID × 1 SULFATE ION × 4 GLYCEROL × 1 water × 1	与蛋白数一致
7	蛋白同源多聚体	同源多聚体	蛋白 6	IRON/SULFUR CLUSTER × 6 ZINC ION × 6 HYDROSULFURIC ACID × 6 SULFATE ION × 24 GLYCEROL × 6 water × 6	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	DCMA_MOOTH
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–419； UniProt 311–729 作者链 B； PDB构建体 1–419； UniProt 311–729 作者链 C； PDB构建体 1–419； UniProt 311–729 作者链 D； PDB构建体 1–419； UniProt 311–729 作者链 E； PDB构建体 1–419； UniProt 311–729 作者链 F； PDB构建体 1–419； UniProt 311–729

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	3git
沉积日期 deposition_date	2009-03-06
结构标题 title	Crystal structure of a truncated acetyl-CoA synthase
关键词 keywords	acetyltransferase, Carbon dioxide fixation, Iron, Iron-sulfur, Metal-binding, Nickel, 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。

3git__assembly_2__model_1

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

下载该曲线 .dat

3git__assembly_2__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

3git__assembly_2__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	22.41 Å
Rg（电子密度）	21.55 Å
总 Rg	22.22 Å
原子数	3323
残基数	421
排除体积	59156 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	`3git__assembly_1__model_1`	monomeric （1）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
2	1	`3git__assembly_2__model_1`	monomeric （1）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
3	1	`3git__assembly_3__model_1`	monomeric （1）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
4	1	`3git__assembly_4__model_1`	monomeric （1）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
5	1	`3git__assembly_5__model_1`	monomeric （1）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
6	1	`3git__assembly_6__model_1`	monomeric （1）	成功	4.1.3-1-20251215 (887e7ef)	查看下载
7	1	`3git__assembly_7__model_1`	hexameric （6）	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 (7)

实体 1 Entity 1 polymer

描述 description	Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha
分子量 formula_weight	47781.6 kDa
EC 编号 ec_number	2.3.1.169
来源方法 src_method	man
拷贝数 entity_count	6

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F
原子数 atom_count	20147

IKLTKIKLDLPINFGPAFEGESIRKGDMYVEMGGNRTPAFELVRTVSESEITDGKIEVIGPDIDQIPEGSKLPLGILVDIYGRKMQADFEGVLERRIHDFINYGEGLWHTGQRNINWLRVSKDAVAKGFRFKNYGEILVAKMKEEFPAIVDRVQVTIFTDEAKVKEYMEVAREKYKERDDRMRGLTDETVDTFYSCVLCQSFAPNHVCIVTPERVGLCGAVSWLDAKASYEINHAGPNQPIPKEGEIDPIKGIWKSVNDYLYTASNRNLEQVCLYTLMENPMTSCGCFEAIMAILPECNGIMITTRDHAGMTPSGMTFSTLAGMIGGGTQTPGFMGIGRTYIVSKKFISADGGIARIVWMPKSLKDFLHDEVVRRSVEEGLGEDFIDKIADETIGTTVDEILPYLEEKGHPALTMDPIMRSHTSRGH

来源 Source

来源生物 organism	Moorella thermoacetica
NCBI 分类编号 ncbi_taxonomy_id	1525
宿主生物 host_organism	Escherichia coli BL21(DE3)

实体 2 Entity 2 non-polymer

描述 description	IRON/SULFUR CLUSTER
分子量 formula_weight	351.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

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	6

实体 4 Entity 4 non-polymer

描述 description	HYDROSULFURIC ACID
分子量 formula_weight	34.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

实体 5 Entity 5 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	24

实体 6 Entity 6 non-polymer

描述 description	GLYCEROL
分子量 formula_weight	92.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

实体 7 Entity 7 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	189

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6. 折叠分类 (SCOP + CATH) 18 domains

CATH v4.4 (18 domains)

结构域编号 domain_id	3gitA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1650 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3

结构域编号 domain_id	3gitA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	970 — Ribonuclease HI; Chain A
同源超家族 H-superfamily homologous superfamily	20 — Carbon monoxide dehydrogenase alpha subunit. Chain D, domain 4

结构域编号 domain_id	3gitA03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1470 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5

结构域编号 domain_id	3gitB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1650 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3

结构域编号 domain_id	3gitB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	970 — Ribonuclease HI; Chain A
同源超家族 H-superfamily homologous superfamily	20 — Carbon monoxide dehydrogenase alpha subunit. Chain D, domain 4

结构域编号 domain_id	3gitB03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1470 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5

结构域编号 domain_id	3gitC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1650 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3

结构域编号 domain_id	3gitC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	970 — Ribonuclease HI; Chain A
同源超家族 H-superfamily homologous superfamily	20 — Carbon monoxide dehydrogenase alpha subunit. Chain D, domain 4

结构域编号 domain_id	3gitC03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1470 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5

结构域编号 domain_id	3gitD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1650 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3

结构域编号 domain_id	3gitD02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	970 — Ribonuclease HI; Chain A
同源超家族 H-superfamily homologous superfamily	20 — Carbon monoxide dehydrogenase alpha subunit. Chain D, domain 4

结构域编号 domain_id	3gitD03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1470 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5

结构域编号 domain_id	3gitE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1650 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3

结构域编号 domain_id	3gitE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	970 — Ribonuclease HI; Chain A
同源超家族 H-superfamily homologous superfamily	20 — Carbon monoxide dehydrogenase alpha subunit. Chain D, domain 4

结构域编号 domain_id	3gitE03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1470 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5

结构域编号 domain_id	3gitF01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1650 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 3

结构域编号 domain_id	3gitF02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	970 — Ribonuclease HI; Chain A
同源超家族 H-superfamily homologous superfamily	20 — Carbon monoxide dehydrogenase alpha subunit. Chain D, domain 4

结构域编号 domain_id	3gitF03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1470 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5
同源超家族 H-superfamily homologous superfamily	10 — Bifunctional carbon monoxide dehydrogenase/acetyl-coa synthase(codh/acs), Chain M, domain 5

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晶胞边长 a length_a	166.400 Å
晶胞边长 b length_b	166.400 Å
晶胞边长 c length_c	245.200 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	36

空间群 space_group	P 31 2 1
空间群编号 int_tables_number	152
晶系 crystal_system	—

分辨率 resolution	3.000 Å
最低分辨率 resolution_low	19.980 Å
R 因子 r_factor	0.1730
R_work r_work	0.1710
R_free r_free	0.2080

Crystal structure of a truncated acetyl-CoA synthase

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

Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha

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

3git__assembly_2__model_1

3git__assembly_2__model_1 | I(q)

3git__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 (7)

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 non-polymer

实体 6 Entity 6 non-polymer

实体 7 Entity 7 water

6. 折叠分类 (SCOP + CATH) 18 domains

CATH v4.4 (18 domains)

7. 引用文献 (1)

Crystal structure of a truncated acetyl-CoA synthase

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

Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha

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

3git__assembly_2__model_1

3git__assembly_2__model_1 | I(q)

3git__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 (7)

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 non-polymer

实体 6 Entity 6 non-polymer

实体 7 Entity 7 water

6. 折叠分类 (SCOP + CATH) 18 domains

CATH v4.4 (18 domains)

7. 引用文献 (1)