1jd2

Crystal Structure of the yeast 20S Proteasome:TMC-95A complex: A non-covalent Proteasome Inhibitor

Method: X-RAY DIFFRACTION Dmax: 179.9 Å Quality: REASONABLE

SAXS 散射曲线 SAXS Profile

SAXS profile for 1jd2

P(r) 距离分布 P(r) Distribution

P(r) distribution for 1jd2
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id1jd2
沉积日期 deposition_date2001-06-12
结构标题 titleCrystal Structure of the yeast 20S Proteasome:TMC-95A complex: A non-covalent Proteasome Inhibitor
关键词 keywordsbeta-sandwich, proteasome:inhibitor complex, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
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_guinier60.45
回转半径 Rg (电子) rg_electron59.97
零角强度 I(0) i06885980000.00
分子量 molecular_weight704890.0 kDa
排除体积 excluded_volume883690 ų
包络体积 envelope_volume1285900 ų
水化壳体积 shell_volume171220 ų
包络直径 envelope_diameter198.2
壳层 Rg shell_rg68.38
包络 Rg envelope_rg58.10
形状 Rg shape_rg59.95
总 Rg total_rg60.20
总原子数 total_atoms49656
残基数 n_residues6092
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 dmax179.9
Rg (实空间) rg_real60.17
Rg 误差 (实空间) rg_real_error1.02
I(0) (实空间) i0_real6.8860e+09
I(0) 误差 (实空间) i0_real_error1.2410e+08
Rg (倒空间) rg_reciprocal60.67
I(0) (倒空间) i0_reciprocal6891000000.0000
解质量估计 total_estimate0.6043
解质量评级 solution_quality REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary76.1
偏度 Skewness skewness0.213
峰度 Kurtosis kurtosis-0.409
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_alpha1097000000.0000
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: 0.919; Stabil: 1.000; Sysdev: 0.025; Positv: 1.000; Valcen: 0.978; Smooth: 0.042

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

5. 实体与聚合体信息 (17)

6. 折叠分类 (SCOP + CATH) 56 domains

SCOP 2.08 (28 domains)

结构域编号 domain_idd1jd21_
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_idd1jd22_
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_idd1jd2a_
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_idd1jd2b_
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_idd1jd2c_
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_idd1jd2d_
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_idd1jd2e_
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_idd1jd2f_
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_idd1jd2g_
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_idd1jd2h_
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_idd1jd2i_
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_idd1jd2j_
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_idd1jd2k_
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_idd1jd2l_
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_idd1jd2m_
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_idd1jd2n_
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_idd1jd2o_
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_idd1jd2p_
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_idd1jd2q_
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_idd1jd2r_
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_idd1jd2s_
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_idd1jd2t_
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_idd1jd2u_
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_idd1jd2v_
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_idd1jd2w_
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_idd1jd2x_
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_idd1jd2y_
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_idd1jd2z_
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_id1jd2100
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_id1jd2200
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_id1jd2A00
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_id1jd2B00
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_id1jd2C00
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_id1jd2D00
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_id1jd2E00
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_id1jd2F00
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_id1jd2G00
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_id1jd2H00
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_id1jd2I00
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_id1jd2J00
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_id1jd2K00
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_id1jd2L00
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_id1jd2M00
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_id1jd2N00
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_id1jd2O00
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_id1jd2P00
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_id1jd2Q00
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_id1jd2R00
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_id1jd2S00
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_id1jd2T00
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_id1jd2U00
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_id1jd2V00
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_id1jd2W00
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_id1jd2X00
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_id1jd2Y00
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_id1jd2Z00
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

7. 引用文献 (1)

8. 文件与曲线 (10)