4jbw

Crystal structure of E. coli maltose transporter MalFGK2 in complex with its regulatory protein EIIAglc

Method: X-RAY DIFFRACTION Dmax: 203.2 Å Quality: GOOD

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

Maltose transport system permease protein MalF

Escherichia coli

UniProt P02916

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 × 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 F; UniProt 1–514 未记录 Maltose transport system permease protein MalG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.91 Å R-free 0.281
2 蛋白异源复合物 异源复合物 蛋白 × 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 H; UniProt 1–514 未记录 Maltose transport system permease protein MalG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.91 Å R-free 0.281

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 10 个其他 PDB 条目、11 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 MALF_ECOLI
Isoform
PDB实体 1
链与序列区间 作者链 F; PDB构建体 1–514; UniProt 1–514 作者链 H; PDB构建体 1–514; UniProt 1–514

Maltose transport system permease protein MalG

Escherichia coli

UniProt P68183

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 × 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 G; UniProt 1–296 未记录 Maltose transport system permease protein MalF × 1 (P02916) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.91 Å R-free 0.281
2 蛋白异源复合物 异源复合物 蛋白 × 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 I; UniProt 1–296 未记录 Maltose transport system permease protein MalF × 1 (P02916) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.91 Å R-free 0.281

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 8 个其他 PDB 条目、9 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 MALG_ECOLI
Isoform
PDB实体 2
链与序列区间 作者链 G; PDB构建体 1–296; UniProt 1–296 作者链 I; PDB构建体 1–296; UniProt 1–296

Maltose/maltodextrin import ATP-binding protein MalK

Escherichia coli

UniProt P68187

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 × 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 A; UniProt 1–371 链 B; UniProt 1–371 未记录 Maltose transport system permease protein MalF × 1 (P02916) Maltose transport system permease protein MalG × 1 (P68183) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.91 Å R-free 0.281
2 蛋白异源复合物 异源复合物 蛋白 × 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 C; UniProt 1–371 链 D; UniProt 1–371 未记录 Maltose transport system permease protein MalF × 1 (P02916) Maltose transport system permease protein MalG × 1 (P68183) Glucose-specific phosphotransferase enzyme IIA component × 2 (P69783) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.91 Å R-free 0.281

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 13 个其他 PDB 条目、22 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 MALK_ECOLI
Isoform
PDB实体 3
链与序列区间 作者链 A; PDB构建体 1–371; UniProt 1–371 作者链 B; PDB构建体 1–371; UniProt 1–371 作者链 C; PDB构建体 1–371; UniProt 1–371 作者链 D; PDB构建体 1–371; UniProt 1–371

Glucose-specific phosphotransferase enzyme IIA component

Escherichia coli

UniProt P69783

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 × 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 M; UniProt 1–169 链 N; UniProt 1–169 未记录 Maltose transport system permease protein MalF × 1 (P02916) Maltose transport system permease protein MalG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.91 Å R-free 0.281
2 蛋白异源复合物 异源复合物 蛋白 × 6 PDB 声明:hexameric(6) 与蛋白拷贝数一致 链 O; UniProt 1–169 链 P; UniProt 1–169 未记录 Maltose transport system permease protein MalF × 1 (P02916) Maltose transport system permease protein MalG × 1 (P68183) Maltose/maltodextrin import ATP-binding protein MalK × 2 (P68187) PGV (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE × 1 X-RAY DIFFRACTION X-ray结晶条件:VAPOR DIFFUSION, SITTING DROP;pH 5.6;295 K;13% PEG monomethylether 2000, 100mM Sodium cacodylate pH 5.6, 100mM Non Detergent Sulfobetaine (NDSB-256), VAPOR DIFFUSION, SITTING DROP, temperature 295K 分辨率 3.91 Å R-free 0.281

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 11 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 PTGA_ECOLI
Isoform
PDB实体 4
链与序列区间 作者链 M; PDB构建体 4–172; UniProt 1–169 作者链 N; PDB构建体 4–172; UniProt 1–169 作者链 O; PDB构建体 4–172; UniProt 1–169 作者链 P; PDB构建体 4–172; UniProt 1–169

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 4jbw

P(r) 距离分布 P(r) Distribution

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

条目编号 entry_id4jbw
沉积日期 deposition_date2013-02-20
结构标题 titleCrystal structure of E. coli maltose transporter MalFGK2 in complex with its regulatory protein EIIAglc
关键词 keywordsABC transporter ATPase inducer exclusion carbon catabolite repression, TRANSPORT PROTEIN; TRANSPORT PROTEIN
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_guinier61.19
回转半径 Rg (电子) rg_electron61.10
零角强度 I(0) i01989260000.00
分子量 molecular_weight396660.0 kDa
排除体积 excluded_volume505670 ų
包络体积 envelope_volume765620 ų
水化壳体积 shell_volume105810 ų
包络直径 envelope_diameter220.6
壳层 Rg shell_rg60.80
包络 Rg envelope_rg61.63
形状 Rg shape_rg61.16
总 Rg total_rg60.86
总原子数 total_atoms27958
残基数 n_residues3616
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 dmax203.2
Rg (实空间) rg_real61.54
Rg 误差 (实空间) rg_real_error2.03
I(0) (实空间) i0_real1.9890e+09
I(0) 误差 (实空间) i0_real_error4.2970e+07
Rg (倒空间) rg_reciprocal60.86
I(0) (倒空间) i0_reciprocal1987000000.0000
解质量估计 total_estimate0.8617
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary62.5
偏度 Skewness skewness0.482
峰度 Kurtosis kurtosis-0.166
角度范围 angular_range— – 0.1300 −1
当前正则化参数 α current_alpha0.0001
最高正则化参数 α highest_alpha166800000.0000
实空间数据点数 n_real_points27
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.527

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

6. 实体与聚合物信息 Entities & Polymers (5)

7. 折叠分类 (SCOP + CATH) 25 domains

CATH v4.4 (25 domains)

结构域编号 domain_id4jbwA01
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_id4jbwA02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
结构域编号 domain_id4jbwA03
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily140 — Nucleic acid-binding proteins
结构域编号 domain_id4jbwB01
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_id4jbwB02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
结构域编号 domain_id4jbwB03
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily140 — Nucleic acid-binding proteins
结构域编号 domain_id4jbwC01
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_id4jbwC02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
结构域编号 domain_id4jbwC03
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily140 — Nucleic acid-binding proteins
结构域编号 domain_id4jbwD01
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_id4jbwD02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily100 — RNA polymerase II/Efflux pump adaptor protein, barrel-sandwich hybrid domain
结构域编号 domain_id4jbwD03
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
同源超家族 H-superfamily homologous superfamily140 — Nucleic acid-binding proteins
结构域编号 domain_id4jbwF01
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily370 — MalF N-terminal region-like
结构域编号 domain_id4jbwF02
类 Class class3 — Alpha Beta
架构 Architecture architecture10 — Roll
拓扑 Topology topology650 — MalF N-terminal region-like
同源超家族 H-superfamily homologous superfamily10 — MalF N-terminal region-like
结构域编号 domain_id4jbwF03
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology430 — Periplasmic binding protein-like II
同源超家族 H-superfamily homologous superfamily10 — D-maltodextrin-binding protein, MBP
结构域编号 domain_id4jbwF04
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology3720 — MetI-like fold
同源超家族 H-superfamily homologous superfamily10 — MetI-like
结构域编号 domain_id4jbwG01
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology3720 — MetI-like fold
同源超家族 H-superfamily homologous superfamily10 — MetI-like
结构域编号 domain_id4jbwH01
类 Class class1 — Mainly Alpha
架构 Architecture architecture20 — Up-down Bundle
拓扑 Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily370 — MalF N-terminal region-like
结构域编号 domain_id4jbwH02
类 Class class2 — Mainly Beta
架构 Architecture architecture40 — Beta Barrel
拓扑 Topology topology430 — Periplasmic binding protein-like II
同源超家族 H-superfamily homologous superfamily10 — D-maltodextrin-binding protein, MBP
结构域编号 domain_id4jbwH03
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology3720 — MetI-like fold
同源超家族 H-superfamily homologous superfamily10 — MetI-like
结构域编号 domain_id4jbwI01
类 Class class1 — Mainly Alpha
架构 Architecture architecture10 — Orthogonal Bundle
拓扑 Topology topology3720 — MetI-like fold
同源超家族 H-superfamily homologous superfamily10 — MetI-like
结构域编号 domain_id4jbwM00
类 Class class2 — Mainly Beta
架构 Architecture architecture70 — Distorted Sandwich
拓扑 Topology topology70 — Glucose Permease (Domain IIA)
同源超家族 H-superfamily homologous superfamily10 — Glucose Permease (Domain IIA)
结构域编号 domain_id4jbwN00
类 Class class2 — Mainly Beta
架构 Architecture architecture70 — Distorted Sandwich
拓扑 Topology topology70 — Glucose Permease (Domain IIA)
同源超家族 H-superfamily homologous superfamily10 — Glucose Permease (Domain IIA)
结构域编号 domain_id4jbwO00
类 Class class2 — Mainly Beta
架构 Architecture architecture70 — Distorted Sandwich
拓扑 Topology topology70 — Glucose Permease (Domain IIA)
同源超家族 H-superfamily homologous superfamily10 — Glucose Permease (Domain IIA)
结构域编号 domain_id4jbwP00
类 Class class2 — Mainly Beta
架构 Architecture architecture70 — Distorted Sandwich
拓扑 Topology topology70 — Glucose Permease (Domain IIA)
同源超家族 H-superfamily homologous superfamily10 — Glucose Permease (Domain IIA)

8. 引用文献 (1)

9. 文件与曲线 (10)