4pd4

Structural analysis of atovaquone-inhibited cytochrome bc1 complex reveals the molecular basis of antimalarial drug action

Method: X-RAY DIFFRACTION Dmax: 178.5 Å Quality: GOOD

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

Cytochrome b-c1 complex subunit 1, mitochondrial

物种未注明

UniProt P07256

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 A; UniProt 27–457 片段:UNP residues 27-457 Cytochrome b-c1 complex subunit 2, mitochondrial × 2 (P07257) Cytochrome b × 2 (P00163) Cytochrome c1, heme protein, mitochondrial × 2 (P07143) Cytochrome b-c1 complex subunit Rieske, mitochondrial × 2 (P08067) Cytochrome b-c1 complex subunit 6 × 2 (P00127) Cytochrome b-c1 complex subunit 7 × 2 (P00128) Cytochrome b-c1 complex subunit 8 × 2 (P08525) Cytochrome b-c1 complex subunit 9 × 2 (P22289) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 15 个其他 PDB 条目、15 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 QCR1_YEAST
Isoform
PDB实体 1
链与序列区间 作者链 A; PDB构建体 1–431; UniProt 27–457

Cytochrome b-c1 complex subunit 2, mitochondrial

物种未注明

UniProt P07257

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 B; UniProt 17–368 片段:UNP residues 17-368 Cytochrome b-c1 complex subunit 1, mitochondrial × 2 (P07256) Cytochrome b × 2 (P00163) Cytochrome c1, heme protein, mitochondrial × 2 (P07143) Cytochrome b-c1 complex subunit Rieske, mitochondrial × 2 (P08067) Cytochrome b-c1 complex subunit 6 × 2 (P00127) Cytochrome b-c1 complex subunit 7 × 2 (P00128) Cytochrome b-c1 complex subunit 8 × 2 (P08525) Cytochrome b-c1 complex subunit 9 × 2 (P22289) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 14 个其他 PDB 条目、14 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 QCR2_YEAST
Isoform
PDB实体 2
链与序列区间 作者链 B; PDB构建体 1–352; UniProt 17–368

Cytochrome b

物种未注明

UniProt P00163

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 C; UniProt 1–385 未记录 Cytochrome b-c1 complex subunit 1, mitochondrial × 2 (P07256) Cytochrome b-c1 complex subunit 2, mitochondrial × 2 (P07257) Cytochrome c1, heme protein, mitochondrial × 2 (P07143) Cytochrome b-c1 complex subunit Rieske, mitochondrial × 2 (P08067) Cytochrome b-c1 complex subunit 6 × 2 (P00127) Cytochrome b-c1 complex subunit 7 × 2 (P00128) Cytochrome b-c1 complex subunit 8 × 2 (P08525) Cytochrome b-c1 complex subunit 9 × 2 (P22289) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 14 个其他 PDB 条目、14 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 CYB_YEAST
Isoform
PDB实体 3
链与序列区间 作者链 C; PDB构建体 1–385; UniProt 1–385

Cytochrome c1, heme protein, mitochondrial

物种未注明

UniProt P07143

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 D; UniProt 62–309 片段:UNP residues 62-309 Cytochrome b-c1 complex subunit 1, mitochondrial × 2 (P07256) Cytochrome b-c1 complex subunit 2, mitochondrial × 2 (P07257) Cytochrome b × 2 (P00163) Cytochrome b-c1 complex subunit Rieske, mitochondrial × 2 (P08067) Cytochrome b-c1 complex subunit 6 × 2 (P00127) Cytochrome b-c1 complex subunit 7 × 2 (P00128) Cytochrome b-c1 complex subunit 8 × 2 (P08525) Cytochrome b-c1 complex subunit 9 × 2 (P22289) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 14 个其他 PDB 条目、14 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 CY1_YEAST
Isoform
PDB实体 4
链与序列区间 作者链 D; PDB构建体 1–248; UniProt 62–309

Cytochrome b-c1 complex subunit Rieske, mitochondrial

物种未注明

UniProt P08067

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 E; UniProt 31–215 片段:UNP residues 31-215 Cytochrome b-c1 complex subunit 1, mitochondrial × 2 (P07256) Cytochrome b-c1 complex subunit 2, mitochondrial × 2 (P07257) Cytochrome b × 2 (P00163) Cytochrome c1, heme protein, mitochondrial × 2 (P07143) Cytochrome b-c1 complex subunit 6 × 2 (P00127) Cytochrome b-c1 complex subunit 7 × 2 (P00128) Cytochrome b-c1 complex subunit 8 × 2 (P08525) Cytochrome b-c1 complex subunit 9 × 2 (P22289) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 15 个其他 PDB 条目、15 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 UCRI_YEAST
Isoform
PDB实体 5
链与序列区间 作者链 E; PDB构建体 1–185; UniProt 31–215

Cytochrome b-c1 complex subunit 6

物种未注明

UniProt P00127

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 F; UniProt 74–147 片段:UNP residues 74-147 Cytochrome b-c1 complex subunit 1, mitochondrial × 2 (P07256) Cytochrome b-c1 complex subunit 2, mitochondrial × 2 (P07257) Cytochrome b × 2 (P00163) Cytochrome c1, heme protein, mitochondrial × 2 (P07143) Cytochrome b-c1 complex subunit Rieske, mitochondrial × 2 (P08067) Cytochrome b-c1 complex subunit 7 × 2 (P00128) Cytochrome b-c1 complex subunit 8 × 2 (P08525) Cytochrome b-c1 complex subunit 9 × 2 (P22289) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 16 个其他 PDB 条目、16 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 QCR6_YEAST
Isoform
PDB实体 6
链与序列区间 作者链 F; PDB构建体 1–74; UniProt 74–147

Cytochrome b-c1 complex subunit 7

物种未注明

UniProt P00128

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 G; UniProt 2–127 未记录 Cytochrome b-c1 complex subunit 1, mitochondrial × 2 (P07256) Cytochrome b-c1 complex subunit 2, mitochondrial × 2 (P07257) Cytochrome b × 2 (P00163) Cytochrome c1, heme protein, mitochondrial × 2 (P07143) Cytochrome b-c1 complex subunit Rieske, mitochondrial × 2 (P08067) Cytochrome b-c1 complex subunit 6 × 2 (P00127) Cytochrome b-c1 complex subunit 8 × 2 (P08525) Cytochrome b-c1 complex subunit 9 × 2 (P22289) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 14 个其他 PDB 条目、14 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 QCR7_YEAST
Isoform
PDB实体 7
链与序列区间 作者链 G; PDB构建体 1–126; UniProt 2–127

Cytochrome b-c1 complex subunit 8

物种未注明

UniProt P08525

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 H; UniProt 2–94 未记录 Cytochrome b-c1 complex subunit 1, mitochondrial × 2 (P07256) Cytochrome b-c1 complex subunit 2, mitochondrial × 2 (P07257) Cytochrome b × 2 (P00163) Cytochrome c1, heme protein, mitochondrial × 2 (P07143) Cytochrome b-c1 complex subunit Rieske, mitochondrial × 2 (P08067) Cytochrome b-c1 complex subunit 6 × 2 (P00127) Cytochrome b-c1 complex subunit 7 × 2 (P00128) Cytochrome b-c1 complex subunit 9 × 2 (P22289) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 14 个其他 PDB 条目、14 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 QCR8_YEAST
Isoform
PDB实体 8
链与序列区间 作者链 H; PDB构建体 1–93; UniProt 2–94

Cytochrome b-c1 complex subunit 9

物种未注明

UniProt P22289

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 × 22 PDB 声明:22-meric(22) 与蛋白拷贝数一致 链 I; UniProt 2–58 片段:UNP residues 2-58 Cytochrome b-c1 complex subunit 1, mitochondrial × 2 (P07256) Cytochrome b-c1 complex subunit 2, mitochondrial × 2 (P07257) Cytochrome b × 2 (P00163) Cytochrome c1, heme protein, mitochondrial × 2 (P07143) Cytochrome b-c1 complex subunit Rieske, mitochondrial × 2 (P08067) Cytochrome b-c1 complex subunit 6 × 2 (P00127) Cytochrome b-c1 complex subunit 7 × 2 (P00128) Cytochrome b-c1 complex subunit 8 × 2 (P08525) Igh protein × 2 Ig kappa chain V-V region HP 124E1 × 2 UMQ UNDECYL-MALTOSIDE × 2 3PH 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 6 AOQ 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione × 2 3PE 1,2-Distearoyl-sn-glycerophosphoethanolamine × 2 UQ6 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, HANGING DROP;pH 6.8;277.2 K;polyethylene glycol 4000, DMSO, Sucrose, Potassium phosphate, n-undecyl-?-D-maltopyranoside, atovaquone 分辨率 3.04 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 21 个其他 PDB 条目、21 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 QCR9_YEAST
Isoform
PDB实体 9
链与序列区间 作者链 I; PDB构建体 1–57; UniProt 2–58

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 4pd4

P(r) 距离分布 P(r) Distribution

P(r) distribution for 4pd4
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2. 结构基本信息 2. Structure Basics

条目编号 entry_id4pd4
沉积日期 deposition_date2014-04-17
结构标题 titleStructural analysis of atovaquone-inhibited cytochrome bc1 complex reveals the molecular basis of antimalarial drug action
关键词 keywordsCytochrome bc1 complex, Membrane protein complex, antimalarial drug, inhibitor, OXIDOREDUCTASE-INHIBITOR complex; OXIDOREDUCTASE/INHIBITOR
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_guinier54.51
回转半径 Rg (电子) rg_electron54.05
零角强度 I(0) i0831034000.00
分子量 molecular_weight249950.0 kDa
排除体积 excluded_volume316440 ų
包络体积 envelope_volume461860 ų
水化壳体积 shell_volume73876 ų
包络直径 envelope_diameter183.5
壳层 Rg shell_rg53.68
包络 Rg envelope_rg53.47
形状 Rg shape_rg54.06
总 Rg total_rg54.00
总原子数 total_atoms17646
残基数 n_residues2185
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 dmax178.5
Rg (实空间) rg_real54.66
Rg 误差 (实空间) rg_real_error1.76
I(0) (实空间) i0_real8.3100e+08
I(0) 误差 (实空间) i0_real_error1.6180e+07
Rg (倒空间) rg_reciprocal54.35
I(0) (倒空间) i0_reciprocal830600000.0000
解质量估计 total_estimate0.8541
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary43.1
偏度 Skewness skewness0.271
峰度 Kurtosis kurtosis-0.792
角度范围 angular_range— – 0.1450 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha58340000.0000
实空间数据点数 n_real_points30
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.885; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.955; Smooth: 0.489

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

6. 实体与聚合物信息 Entities & Polymers (18)

7. 折叠分类 (SCOP + CATH) 31 domains

SCOP 2.08 (16 domains)

结构域编号 domain_idd4pd4a1
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamilyd.185.1 — LuxS/MPP-like metallohydrolase
家族 Family familyd.185.1.1 — MPP-like
结构域编号 domain_idd4pd4a2
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamilyd.185.1 — LuxS/MPP-like metallohydrolase
家族 Family familyd.185.1.1 — MPP-like
结构域编号 domain_idd4pd4b1
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamilyd.185.1 — LuxS/MPP-like metallohydrolase
家族 Family familyd.185.1.1 — MPP-like
结构域编号 domain_idd4pd4b2
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.185 — LuxS/MPP-like metallohydrolase
超家族 Superfamily superfamilyd.185.1 — LuxS/MPP-like metallohydrolase
家族 Family familyd.185.1.1 — MPP-like
结构域编号 domain_idd4pd4c1
类 Class classf — Membrane and cell surface proteins and peptides
折叠类型 Fold foldf.21 — Heme-binding four-helical bundle
超家族 Superfamily superfamilyf.21.1 — Transmembrane di-heme cytochromes
家族 Family familyf.21.1.2 — Cytochrome b of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
结构域编号 domain_idd4pd4c2
类 Class classf — Membrane and cell surface proteins and peptides
折叠类型 Fold foldf.32 — a domain/subunit of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
超家族 Superfamily superfamilyf.32.1 — a domain/subunit of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
家族 Family familyf.32.1.0 — automated matches
结构域编号 domain_idd4pd4d1
类 Class classa — All alpha proteins
折叠类型 Fold folda.3 — Cytochrome c
超家族 Superfamily superfamilya.3.1 — Cytochrome c
家族 Family familya.3.1.3 — Cytochrome bc1 domain
结构域编号 domain_idd4pd4d2
类 Class classf — Membrane and cell surface proteins and peptides
折叠类型 Fold foldf.23 — Single transmembrane helix
超家族 Superfamily superfamilyf.23.11 — Cytochrome c1 subunit of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase), transmembrane anchor
家族 Family familyf.23.11.0 — automated matches
结构域编号 domain_idd4pd4e1
类 Class classf — Membrane and cell surface proteins and peptides
折叠类型 Fold foldf.23 — Single transmembrane helix
超家族 Superfamily superfamilyf.23.12 — ISP transmembrane anchor
家族 Family familyf.23.12.0 — automated matches
结构域编号 domain_idd4pd4e2
类 Class classb — All beta proteins
折叠类型 Fold foldb.33 — ISP domain
超家族 Superfamily superfamilyb.33.1 — ISP domain
家族 Family familyb.33.1.1 — Rieske iron-sulfur protein (ISP)
结构域编号 domain_idd4pd4f_
类 Class classf — Membrane and cell surface proteins and peptides
折叠类型 Fold foldf.28 — Non-heme 11 kDa protein of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
超家族 Superfamily superfamilyf.28.1 — Non-heme 11 kDa protein of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
家族 Family familyf.28.1.1 — Non-heme 11 kDa protein of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
结构域编号 domain_idd4pd4g_
类 Class classf — Membrane and cell surface proteins and peptides
折叠类型 Fold foldf.27 — 14 kDa protein of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
超家族 Superfamily superfamilyf.27.1 — 14 kDa protein of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
家族 Family familyf.27.1.1 — 14 kDa protein of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
结构域编号 domain_idd4pd4h_
类 Class classf — Membrane and cell surface proteins and peptides
折叠类型 Fold foldf.23 — Single transmembrane helix
超家族 Superfamily superfamilyf.23.13 — Ubiquinone-binding protein QP-C of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
家族 Family familyf.23.13.1 — Ubiquinone-binding protein QP-C of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
结构域编号 domain_idd4pd4i_
类 Class classf — Membrane and cell surface proteins and peptides
折叠类型 Fold foldf.23 — Single transmembrane helix
超家族 Superfamily superfamilyf.23.14 — Subunit X (non-heme 7 kDa protein) of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
家族 Family familyf.23.14.1 — Subunit X (non-heme 7 kDa protein) of cytochrome bc1 complex (Ubiquinol-cytochrome c reductase)
结构域编号 domain_idd4pd4j_
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.1 — V set domains (antibody variable domain-like)
结构域编号 domain_idd4pd4k_
类 Class classb — All beta proteins
折叠类型 Fold foldb.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamilyb.1.1 — Immunoglobulin
家族 Family familyb.1.1.1 — V set domains (antibody variable domain-like)

CATH v4.4 (15 domains)

结构域编号 domain_id4pd4A01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Metalloenzyme, LuxS/M16 peptidase-like
结构域编号 domain_id4pd4A02
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Metalloenzyme, LuxS/M16 peptidase-like
结构域编号 domain_id4pd4B01
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Metalloenzyme, LuxS/M16 peptidase-like
结构域编号 domain_id4pd4B02
类 Class class3 — Alpha Beta
架构 Architecture architecture30 — 2-Layer Sandwich
拓扑 Topology topology830 — Cytochrome Bc1 Complex; Chain A, domain 1
同源超家族 H-superfamily homologous superfamily10 — Metalloenzyme, LuxS/M16 peptidase-like
结构域编号 domain_id4pd4C00
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology810 — Cytochrome Bc1 Complex; Chain C
同源超家族 H-superfamily homologous superfamily10 — Cytochrome Bc1 Complex; Chain C
结构域编号 domain_id4pd4D01
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology760 — Cytochrome Bc1 Complex; Chain D, domain 2
同源超家族 H-superfamily homologous superfamily10 — Cytochrome c-like domain
结构域编号 domain_id4pd4D02
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily100 — Cytochrome c1, transmembrane anchor, C-terminal
结构域编号 domain_id4pd4E01
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily270 — Ubiquinol cytochrome reductase, transmembrane domain
结构域编号 domain_id4pd4E02
类 Class class2 — Mainly Beta
架构 Architecture architecture102 — 3-layer Sandwich
拓扑 Topology topology10 — Rieske Iron-sulfur Protein
同源超家族 H-superfamily homologous superfamily10 — Rieske [2Fe-2S] iron-sulphur domain
结构域编号 domain_id4pd4F00
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 superfamily20 — Ubiquinol-cytochrome C reductase hinge domain
结构域编号 domain_id4pd4G00
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology1090 — Cytochrome Bc1 Complex; Chain F
同源超家族 H-superfamily homologous superfamily10 — Cytochrome b-c1 complex subunit 7
结构域编号 domain_id4pd4H00
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily210 — Cytochrome b-c1 complex subunit 8
结构域编号 domain_id4pd4I00
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
同源超家族 H-superfamily homologous superfamily260 — Cytochrome b-c1 complex subunit 9
结构域编号 domain_id4pd4J00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins
结构域编号 domain_id4pd4K00
类 Class class2 — Mainly Beta
架构 Architecture architecture60 — Sandwich
拓扑 Topology topology40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily10 — Immunoglobulins

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