1nbm

THE STRUCTURE OF BOVINE F1-ATPASE COVALENTLY INHIBITED WITH 4-CHLORO-7-NITROBENZOFURAZAN

Method: X-RAY DIFFRACTION Dmax: 124.2 Å Quality: REASONABLE

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

F1-ATPASE

物种未注明

UniProt P19483

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白异源复合物 异源复合物 蛋白 × 7 PDB 声明:heptameric(7) 与蛋白拷贝数一致 链 A; UniProt 44–553 链 B; UniProt 44–553 链 C; UniProt 44–553 未记录 F1-ATPASE × 2 (P00829) F1-ATPASE × 1 (P00829) F1-ATPASE × 1 (P05631) MG MAGNESIUM ION × 5 ATP ADENOSINE-5'-TRIPHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION X-ray结晶条件:pH 7.5;50MM TRIS-HCL, PH7.5, 200MM SODIUM CHLORIDE, 20MM MAGNESIUM SULPHATE, 1MM EDTA, 0.002% (W/V) PHENYL METHYLSULPHONYL FLUORIDE, 0.02%(W/V) SODIUM AZIDE, 10.5% (W/V) PEG MME 5000, 250UM AMP-PNP AND 5UM ADP. 分辨率 3.00 Å R-free 0.297

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 58 个其他 PDB 条目、62 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 ATPA1_BOVIN
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 1–510; UniProt 44–553 作者链 B; PDB构建体 1–510; UniProt 44–553 作者链 C; PDB构建体 1–510; UniProt 44–553

F1-ATPASE

物种未注明

UniProt P00829

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白异源复合物 异源复合物 蛋白 × 7 PDB 声明:heptameric(7) 与蛋白拷贝数一致 链 D; UniProt 47–526 链 E; UniProt 47–526 链 F; UniProt 47–526 非标准单体:是(mmCIF未提供具体位点) F1-ATPASE × 3 (P19483) F1-ATPASE × 1 (P05631) MG MAGNESIUM ION × 5 ATP ADENOSINE-5'-TRIPHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION X-ray结晶条件:pH 7.5;50MM TRIS-HCL, PH7.5, 200MM SODIUM CHLORIDE, 20MM MAGNESIUM SULPHATE, 1MM EDTA, 0.002% (W/V) PHENYL METHYLSULPHONYL FLUORIDE, 0.02%(W/V) SODIUM AZIDE, 10.5% (W/V) PEG MME 5000, 250UM AMP-PNP AND 5UM ADP. 分辨率 3.00 Å R-free 0.297

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 55 个其他 PDB 条目、59 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 ATPB_BOVIN
Isoform
PDB实体 2, 3
链与序列区间 作者链 D; PDB构建体 1–480; UniProt 47–526 作者链 F; PDB构建体 1–480; UniProt 47–526 作者链 E; PDB构建体 1–480; UniProt 47–526

F1-ATPASE

物种未注明

UniProt P05631

当前结构中的状态

Assembly 聚集状态 构建体 突变与修饰 配体、离子与共同组分 实验方法与环境 结构质量
1 蛋白异源复合物 异源复合物 蛋白 × 7 PDB 声明:heptameric(7) 与蛋白拷贝数一致 链 G; UniProt 26–297 未记录 F1-ATPASE × 3 (P19483) F1-ATPASE × 2 (P00829) F1-ATPASE × 1 (P00829) MG MAGNESIUM ION × 5 ATP ADENOSINE-5'-TRIPHOSPHATE × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION X-ray结晶条件:pH 7.5;50MM TRIS-HCL, PH7.5, 200MM SODIUM CHLORIDE, 20MM MAGNESIUM SULPHATE, 1MM EDTA, 0.002% (W/V) PHENYL METHYLSULPHONYL FLUORIDE, 0.02%(W/V) SODIUM AZIDE, 10.5% (W/V) PEG MME 5000, 250UM AMP-PNP AND 5UM ADP. 分辨率 3.00 Å R-free 0.297

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly, “相对当前条目”直接指出证据层面的不同;没有差异标签表示当前已读取字段一致。

共 58 个其他 PDB 条目、62 个 assembly。 打开独立比较页并筛选聚集状态

查看构建体与数据证据
UniProt名称 ATPG_BOVIN
Isoform
PDB实体 4
链与序列区间 作者链 G; PDB构建体 1–272; UniProt 26–297

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。

SAXS 散射曲线 SAXS Profile

SAXS profile for 1nbm

P(r) 距离分布 P(r) Distribution

P(r) distribution for 1nbm
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id1nbm
沉积日期 deposition_date1998-04-30
结构标题 titleTHE STRUCTURE OF BOVINE F1-ATPASE COVALENTLY INHIBITED WITH 4-CHLORO-7-NITROBENZOFURAZAN
关键词 keywordsATP SYNTHASE, F1FO ATP SYNTHASE, F1-ATPASE, 4-CHLORO-7-NITROBENZOFURAZAN, INHIBITION; ATP SYNTHASE
实验方法 methodX-RAY DIFFRACTION

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier41.75
回转半径 Rg (电子) rg_electron40.92
零角强度 I(0) i01530730000.00
分子量 molecular_weight325920.0 kDa
排除体积 excluded_volume409400 ų
包络体积 envelope_volume518920 ų
水化壳体积 shell_volume97152 ų
包络直径 envelope_diameter133.3
壳层 Rg shell_rg52.07
包络 Rg envelope_rg40.56
形状 Rg shape_rg40.93
总 Rg total_rg41.35
总原子数 total_atoms22893
残基数 n_residues2986
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 −1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax124.2
Rg (实空间) rg_real41.44
Rg 误差 (实空间) rg_real_error0.43
I(0) (实空间) i0_real1.5310e+09
I(0) 误差 (实空间) i0_real_error2.1750e+07
Rg (倒空间) rg_reciprocal41.74
I(0) (倒空间) i0_reciprocal1531000000.0000
解质量估计 total_estimate0.6662
解质量评级 solution_quality REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary55.6
偏度 Skewness skewness0.015
峰度 Kurtosis kurtosis-0.566
角度范围 angular_range— – 0.1900 −1
当前正则化参数 α current_alpha0.0001
最高正则化参数 α highest_alpha364100000.0000
实空间数据点数 n_real_points39
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.928; Stabil: 1.000; Sysdev: 0.008; Positv: 1.000; Valcen: 0.955; Smooth: 0.893

5. 晶体学与实验 5. Crystallography & Experiment

6. 实体与聚合物信息 Entities & Polymers (9)

7. 折叠分类 (SCOP + CATH) 38 domains

SCOP 2.08 (19 domains)

结构域编号 domain_idd1nbma1
类 Class classa — All alpha proteins
折叠类型 Fold folda.69 — Left-handed superhelix
超家族 Superfamily superfamilya.69.1 — C-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familya.69.1.1 — C-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbma2
类 Class classb — All beta proteins
折叠类型 Fold foldb.49 — Domain of alpha and beta subunits of F1 ATP synthase-like
超家族 Superfamily superfamilyb.49.1 — N-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familyb.49.1.1 — N-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbma3
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family familyc.37.1.11 — RecA protein-like (ATPase-domain)
结构域编号 domain_idd1nbmb1
类 Class classa — All alpha proteins
折叠类型 Fold folda.69 — Left-handed superhelix
超家族 Superfamily superfamilya.69.1 — C-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familya.69.1.1 — C-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbmb2
类 Class classb — All beta proteins
折叠类型 Fold foldb.49 — Domain of alpha and beta subunits of F1 ATP synthase-like
超家族 Superfamily superfamilyb.49.1 — N-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familyb.49.1.1 — N-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbmb3
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family familyc.37.1.11 — RecA protein-like (ATPase-domain)
结构域编号 domain_idd1nbmc1
类 Class classa — All alpha proteins
折叠类型 Fold folda.69 — Left-handed superhelix
超家族 Superfamily superfamilya.69.1 — C-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familya.69.1.1 — C-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbmc2
类 Class classb — All beta proteins
折叠类型 Fold foldb.49 — Domain of alpha and beta subunits of F1 ATP synthase-like
超家族 Superfamily superfamilyb.49.1 — N-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familyb.49.1.1 — N-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbmc3
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family familyc.37.1.11 — RecA protein-like (ATPase-domain)
结构域编号 domain_idd1nbmd1
类 Class classa — All alpha proteins
折叠类型 Fold folda.69 — Left-handed superhelix
超家族 Superfamily superfamilya.69.1 — C-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familya.69.1.1 — C-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbmd2
类 Class classb — All beta proteins
折叠类型 Fold foldb.49 — Domain of alpha and beta subunits of F1 ATP synthase-like
超家族 Superfamily superfamilyb.49.1 — N-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familyb.49.1.1 — N-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbmd3
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family familyc.37.1.11 — RecA protein-like (ATPase-domain)
结构域编号 domain_idd1nbme1
类 Class classa — All alpha proteins
折叠类型 Fold folda.69 — Left-handed superhelix
超家族 Superfamily superfamilya.69.1 — C-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familya.69.1.1 — C-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbme2
类 Class classb — All beta proteins
折叠类型 Fold foldb.49 — Domain of alpha and beta subunits of F1 ATP synthase-like
超家族 Superfamily superfamilyb.49.1 — N-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familyb.49.1.1 — N-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbme3
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family familyc.37.1.11 — RecA protein-like (ATPase-domain)
结构域编号 domain_idd1nbmf1
类 Class classa — All alpha proteins
折叠类型 Fold folda.69 — Left-handed superhelix
超家族 Superfamily superfamilya.69.1 — C-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familya.69.1.1 — C-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbmf2
类 Class classb — All beta proteins
折叠类型 Fold foldb.49 — Domain of alpha and beta subunits of F1 ATP synthase-like
超家族 Superfamily superfamilyb.49.1 — N-terminal domain of alpha and beta (or A/B) subunits of rotary ATPases
家族 Family familyb.49.1.1 — N-terminal domain of alpha and beta subunits of F1 ATP synthase
结构域编号 domain_idd1nbmf3
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
超家族 Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
家族 Family familyc.37.1.11 — RecA protein-like (ATPase-domain)
结构域编号 domain_idd1nbmg_
类 Class classc — Alpha and beta proteins (a/b)
折叠类型 Fold foldc.49 — Pyruvate kinase C-terminal domain-like
超家族 Superfamily superfamilyc.49.2 — ATP synthase (F1-ATPase), gamma subunit
家族 Family familyc.49.2.1 — ATP synthase (F1-ATPase), gamma subunit

CATH v4.4 (19 domains)

结构域编号 domain_id1nbmA01
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology30 — Elongation Factor Tu (Ef-tu); domain 3
同源超家族 H-superfamily homologous superfamily20
结构域编号 domain_id1nbmA02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id1nbmA03
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology150 — Lysin
同源超家族 H-superfamily homologous superfamily20 — ATP synthase alpha/beta chain, C-terminal domain
结构域编号 domain_id1nbmB01
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology30 — Elongation Factor Tu (Ef-tu); domain 3
同源超家族 H-superfamily homologous superfamily20
结构域编号 domain_id1nbmB02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id1nbmB03
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology150 — Lysin
同源超家族 H-superfamily homologous superfamily20 — ATP synthase alpha/beta chain, C-terminal domain
结构域编号 domain_id1nbmC01
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology30 — Elongation Factor Tu (Ef-tu); domain 3
同源超家族 H-superfamily homologous superfamily20
结构域编号 domain_id1nbmC02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id1nbmC03
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology150 — Lysin
同源超家族 H-superfamily homologous superfamily20 — ATP synthase alpha/beta chain, C-terminal domain
结构域编号 domain_id1nbmD01
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily170
结构域编号 domain_id1nbmD02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id1nbmD03
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1140 — Bovine Mitochondrial F1-ATPase, ATP Synthase Beta Chain; Chain D, domain3
同源超家族 H-superfamily homologous superfamily10 — Bovine Mitochondrial F1-atpase; Atp Synthase Beta Chain; Chain D, domain 3
结构域编号 domain_id1nbmE01
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily170
结构域编号 domain_id1nbmE02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id1nbmE03
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1140 — Bovine Mitochondrial F1-ATPase, ATP Synthase Beta Chain; Chain D, domain3
同源超家族 H-superfamily homologous superfamily10 — Bovine Mitochondrial F1-atpase; Atp Synthase Beta Chain; Chain D, domain 3
结构域编号 domain_id1nbmF01
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology10 — Thrombin, subunit H
同源超家族 H-superfamily homologous superfamily170
结构域编号 domain_id1nbmF02
类 Class class3 — Alpha Beta
架构 Architecture architecture40 — 3-Layer(aba) Sandwich
拓扑 Topology topology50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
结构域编号 domain_id1nbmF03
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1140 — Bovine Mitochondrial F1-ATPase, ATP Synthase Beta Chain; Chain D, domain3
同源超家族 H-superfamily homologous superfamily10 — Bovine Mitochondrial F1-atpase; Atp Synthase Beta Chain; Chain D, domain 3
结构域编号 domain_id1nbmG00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology287 — Helix Hairpins
同源超家族 H-superfamily homologous superfamily80 — ATP synthase, gamma subunit, helix hairpin domain

8. 引用文献 (2)

9. 文件与曲线 (10)