2f16

Crystal structure of the yeast 20S proteasome in complex with bortezomib

Method: X-RAY DIFFRACTION Dmax: 188.7 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

SAXS profile for 2f16

P(r) 距离分布 P(r) Distribution

P(r) distribution for 2f16
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id2f16
沉积日期 deposition_date2005-11-14
结构标题 titleCrystal structure of the yeast 20S proteasome in complex with bortezomib
关键词 keywordsbeta-sandwich flanked by helices, complex structure covalently bound to the synthetic inihibtor bortezomib, hydrolase; HYDROLASE
实验方法 methodX-RAY DIFFRACTION

2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier60.38
回转半径 Rg (电子) rg_electron59.89
零角强度 I(0) i06884850000.00
分子量 molecular_weight705580.0 kDa
排除体积 excluded_volume884850 ų
包络体积 envelope_volume1258700 ų
水化壳体积 shell_volume168780 ų
包络直径 envelope_diameter197.7
壳层 Rg shell_rg67.90
包络 Rg envelope_rg57.74
形状 Rg shape_rg59.87
总 Rg total_rg60.12
总原子数 total_atoms49716
残基数 n_residues6164
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

3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax188.7
Rg (实空间) rg_real60.09
Rg 误差 (实空间) rg_real_error1.14
I(0) (实空间) i0_real6.8850e+09
I(0) 误差 (实空间) i0_real_error1.3900e+08
Rg (倒空间) rg_reciprocal60.60
I(0) (倒空间) i0_reciprocal6890000000.0000
解质量估计 total_estimate0.8402
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary79.8
偏度 Skewness skewness0.208
峰度 Kurtosis kurtosis-0.414
角度范围 angular_range— – 0.1300 −1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha1079000000.0000
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: 0.854; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.393

4. 晶体学与实验 4. Crystallography & Experiment

5. 实体与聚合体信息 (16)

6. 折叠分类 (SCOP + CATH) 56 domains

SCOP 2.08 (28 domains)

结构域编号 domain_idd2f161_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f162_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16a_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16b_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16c_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16d_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16e_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16f_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16g_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16h_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16i_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16j_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16k_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16l_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16m_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16n_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16o_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16p_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16q_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16r_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16s_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16t_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16u_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16v_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16w_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16x_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16y_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits
结构域编号 domain_idd2f16z_
类 Class classd — Alpha and beta proteins (a+b)
折叠类型 Fold foldd.153 — Ntn hydrolase-like
超家族 Superfamily superfamilyd.153.1 — N-terminal nucleophile aminohydrolases (Ntn hydrolases)
家族 Family familyd.153.1.4 — Proteasome subunits

CATH v4.4 (28 domains)

结构域编号 domain_id2f16100
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16200
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16A00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16B00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16C00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16D00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16E00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16F00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16G00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16H00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16I00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16J00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16K00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16L00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16M00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16N00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16O00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16P00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16Q00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16R00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16S00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16T00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16U00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16V00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16W00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16X00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16Y00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain
结构域编号 domain_id2f16Z00
类 Class class3 — Alpha Beta
架构 Architecture architecture60 — 4-Layer Sandwich
拓扑 Topology topology20 — Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
同源超家族 H-superfamily homologous superfamily10 — Aminohydrolase, N-terminal nucleophile (Ntn) domain

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