1wpg

Crystal structure of the SR CA2+-ATPase with MGF4

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 4	MAGNESIUM ION × 8 SODIUM ION × 4 TETRAFLUOROMAGNESATE(2-) × 4 ADENOSINE-5'-DIPHOSPHATE × 4 ;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 ; × 4 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	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 作者链 C； PDB构建体 1–993； UniProt 1–993 作者链 D； 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	1wpg
沉积日期 deposition_date	2004-09-02
结构标题 title	Crystal structure of the SR CA2+-ATPase with MGF4
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。

1wpg__assembly_1__model_1

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

下载该曲线 .dat

1wpg__assembly_1__model_1 | I(q)

100 个绘图点；横轴和纵轴均采用对数尺度。

1wpg__assembly_1__model_1 | P(r) · Pending

P(r) 将按相同 assembly/model 分别计算和展示。

Rg（Guinier）	67.04 Å
Rg（电子密度）	66.19 Å
总 Rg	66.28 Å
原子数	31008
残基数	3976
排除体积	557230 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	`1wpg__assembly_1__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 (7)

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	4

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	31698

MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG

实体 2 Entity 2 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	8

实体 3 Entity 3 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	4

实体 4 Entity 4 non-polymer

描述 description	TETRAFLUOROMAGNESATE(2-)
分子量 formula_weight	100.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 5 Entity 5 non-polymer

描述 description	ADENOSINE-5'-DIPHOSPHATE
分子量 formula_weight	427.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 6 Entity 6 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	4

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	690

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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	d1wpga1
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	d1wpga2
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	d1wpga3
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	d1wpga4
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	d1wpgb1
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	d1wpgb2
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	d1wpgb3
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	d1wpgb4
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	d1wpgc1
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	d1wpgc2
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	d1wpgc3
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	d1wpgc4
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	d1wpgd1
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	d1wpgd2
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	d1wpgd3
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	d1wpgd4
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

CATH v4.4 (16 domains)

结构域编号 domain_id	1wpgA01
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	1wpgA02
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	1wpgA03
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	1wpgA04
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	1wpgB01
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	1wpgB02
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	1wpgB03
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	1wpgB04
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	1wpgC01
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	1wpgC02
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	1wpgC03
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	1wpgC04
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	1wpgD01
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	1wpgD02
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	1wpgD03
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	1wpgD04
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

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晶胞边长 a length_a	102.210 Å
晶胞边长 b length_b	275.394 Å
晶胞边长 c length_c	109.945 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.01 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.300 Å
最低分辨率 resolution_low	15.000 Å
R 因子 r_factor	0.2290
R_work r_work	0.2230
R_free r_free	0.2450

Crystal structure of the SR CA2+-ATPase with MGF4

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

1wpg__assembly_1__model_1

1wpg__assembly_1__model_1 | I(q)

1wpg__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 (7)

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 non-polymer

实体 7 Entity 7 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 (4)

Crystal structure of the SR CA2+-ATPase with MGF4

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

1wpg__assembly_1__model_1

1wpg__assembly_1__model_1 | I(q)

1wpg__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 (7)

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 non-polymer

实体 7 Entity 7 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 (4)