2agv

Crystal structure of the SR CA2+-ATPASE with BHQ and TG

Method: X-RAY DIFFRACTION

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

Sarcoplasmic/endoplasmic reticulum calcium ATPase 1

物种未注明

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	SODIUM ION × 2 ;OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER ; × 2 2,5-DITERT-BUTYLBENZENE-1,4-DIOL × 2 PHOSPHATIDYLETHANOLAMINE × 6 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	AT2A1_RABIT
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–993； UniProt 1–993 作者链 B； PDB构建体 1–993； UniProt 1–993

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	2agv
沉积日期 deposition_date	2005-07-27
结构标题 title	Crystal structure of the SR CA2+-ATPASE with BHQ and TG
关键词 keywords	membrane protein, P-type ATPASE, HAD fold, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
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。

2agv__assembly_1__model_1

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

下载该曲线 .dat

2agv__assembly_1__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

2agv__assembly_1__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	57.96 Å
Rg（电子密度）	57.85 Å
总 Rg	57.90 Å
原子数	15582
残基数	1988
排除体积	280250 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	`2agv__assembly_1__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 (6)

实体 1 Entity 1 polymer

描述 description	Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
分子量 formula_weight	109602.6 kDa
EC 编号 ec_number	3.6.3.8
来源方法 src_method	nat
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	15830

MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG

实体 2 Entity 2 non-polymer

描述 description	SODIUM ION
分子量 formula_weight	23.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 3 Entity 3 non-polymer

描述 description	;OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER ;
分子量 formula_weight	650.8 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 4 Entity 4 non-polymer

描述 description	2,5-DITERT-BUTYLBENZENE-1,4-DIOL
分子量 formula_weight	222.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 5 Entity 5 non-polymer

描述 description	PHOSPHATIDYLETHANOLAMINE
分子量 formula_weight	734.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

实体 6 Entity 6 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	248

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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	d2agva1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.33 — Metal cation-transporting ATPase, transmembrane domain
超家族 Superfamily superfamily	f.33.1 — Metal cation-transporting ATPase, transmembrane domain
家族 Family family	f.33.1.1 — Metal cation-transporting ATPase, transmembrane domain

结构域编号 domain_id	d2agva2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.82 — Double-stranded beta-helix
超家族 Superfamily superfamily	b.82.7 — Metal cation-transporting ATPase, actuator domain A
家族 Family family	b.82.7.1 — Metal cation-transporting ATPase, actuator domain A

结构域编号 domain_id	d2agva3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.108 — HAD-like
超家族 Superfamily superfamily	c.108.1 — HAD-like
家族 Family family	c.108.1.7 — Meta-cation ATPase, catalytic domain P

结构域编号 domain_id	d2agva4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.220 — Metal cation-transporting ATPase, ATP-binding domain N
超家族 Superfamily superfamily	d.220.1 — Metal cation-transporting ATPase, ATP-binding domain N
家族 Family family	d.220.1.1 — Metal cation-transporting ATPase, ATP-binding domain N

结构域编号 domain_id	d2agvb1
类 Class class	f — Membrane and cell surface proteins and peptides
折叠类型 Fold fold	f.33 — Metal cation-transporting ATPase, transmembrane domain
超家族 Superfamily superfamily	f.33.1 — Metal cation-transporting ATPase, transmembrane domain
家族 Family family	f.33.1.1 — Metal cation-transporting ATPase, transmembrane domain

结构域编号 domain_id	d2agvb2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.82 — Double-stranded beta-helix
超家族 Superfamily superfamily	b.82.7 — Metal cation-transporting ATPase, actuator domain A
家族 Family family	b.82.7.1 — Metal cation-transporting ATPase, actuator domain A

结构域编号 domain_id	d2agvb3
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.108 — HAD-like
超家族 Superfamily superfamily	c.108.1 — HAD-like
家族 Family family	c.108.1.7 — Meta-cation ATPase, catalytic domain P

结构域编号 domain_id	d2agvb4
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.220 — Metal cation-transporting ATPase, ATP-binding domain N
超家族 Superfamily superfamily	d.220.1 — Metal cation-transporting ATPase, ATP-binding domain N
家族 Family family	d.220.1.1 — Metal cation-transporting ATPase, ATP-binding domain N

CATH v4.4 (8 domains)

结构域编号 domain_id	2agvA01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	150 — Calcium-transporting ATPase, cytoplasmic transduction domain A
同源超家族 H-superfamily homologous superfamily	10 — Calcium-transporting ATPase, cytoplasmic transduction domain A

结构域编号 domain_id	2agvA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1110 — Calcium-transporting ATPase, transmembrane domain
同源超家族 H-superfamily homologous superfamily	10 — Calcium-transporting ATPase, transmembrane domain

结构域编号 domain_id	2agvA03
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	1000 — HAD superfamily/HAD-like

结构域编号 domain_id	2agvA04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1110 — Calcium-transporting ATPase, cytoplasmic domain N
同源超家族 H-superfamily homologous superfamily	10 — Calcium-transporting ATPase, cytoplasmic domain N

结构域编号 domain_id	2agvB01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	150 — Calcium-transporting ATPase, cytoplasmic transduction domain A
同源超家族 H-superfamily homologous superfamily	10 — Calcium-transporting ATPase, cytoplasmic transduction domain A

结构域编号 domain_id	2agvB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	1110 — Calcium-transporting ATPase, transmembrane domain
同源超家族 H-superfamily homologous superfamily	10 — Calcium-transporting ATPase, transmembrane domain

结构域编号 domain_id	2agvB03
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	1000 — HAD superfamily/HAD-like

结构域编号 domain_id	2agvB04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	1110 — Calcium-transporting ATPase, cytoplasmic domain N
同源超家族 H-superfamily homologous superfamily	10 — Calcium-transporting ATPase, cytoplasmic domain N

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晶胞边长 a length_a	71.385 Å
晶胞边长 b length_b	71.385 Å
晶胞边长 c length_c	591.017 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	8

空间群 space_group	P 41
空间群编号 int_tables_number	76
晶系 crystal_system	—

分辨率 resolution	2.400 Å
最低分辨率 resolution_low	14.980 Å
R 因子 r_factor	0.2390
R_work r_work	0.2390
R_free r_free	0.2630

Crystal structure of the SR CA2+-ATPASE with BHQ and TG

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

Sarcoplasmic/endoplasmic reticulum calcium ATPase 1

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

2agv__assembly_1__model_1

2agv__assembly_1__model_1 | I(q)

2agv__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 (6)

实体 1 Entity 1 polymer

聚合物 Polymer

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 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 (5)

Crystal structure of the SR CA2+-ATPASE with BHQ and TG

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

Sarcoplasmic/endoplasmic reticulum calcium ATPase 1

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

2agv__assembly_1__model_1

2agv__assembly_1__model_1 | I(q)

2agv__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 (6)

实体 1 Entity 1 polymer

聚合物 Polymer

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 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 (5)