1n6d
Tricorn protease in complex with tetrapeptide chloromethyl ketone derivative
SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
1. 结构基本信息 1. Structure Basics
| 条目编号 entry_id | 1n6d |
| 沉积日期 deposition_date | 2002-11-10 |
| 结构标题 title | Tricorn protease in complex with tetrapeptide chloromethyl ketone derivative |
| 关键词 keywords | tricorn protease, hydrolase, propeller; HYDROLASE |
| 实验方法 method | X-RAY DIFFRACTION |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 60.16 Å |
| 回转半径 Rg (电子) rg_electron | 59.66 Å |
| 零角强度 I(0) i0 | 13510700000.00 |
| 分子量 molecular_weight | 650310.0 kDa |
| 排除体积 excluded_volume | 628700 ų |
| 包络体积 envelope_volume | 1198500 ų |
| 水化壳体积 shell_volume | 159530 ų |
| 包络直径 envelope_diameter | 189.2 Å |
| 壳层 Rg shell_rg | 69.07 Å |
| 包络 Rg envelope_rg | 57.35 Å |
| 形状 Rg shape_rg | 59.67 Å |
| 总 Rg total_rg | 59.75 Å |
| 总原子数 total_atoms | 49356 |
| 残基数 n_residues | 6162 |
| 球谐函数阶数 n_harmonics | 20 |
| q 范围 q_range | — – 0.5000 Å−1 |
| 数据点数 n_points | 101 |
| 壳层类型 shell_type | directional |
| 溶剂电子密度 solvent_density | 0.3340 e/ų |
| 壳层衬度 contrast_shell | 0.0300 e/ų |
| CRYSOL 版本 crysol_version | 4.1.3 |
3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)
| 最大尺寸 Dmax dmax | 189.4 Å |
| Rg (实空间) rg_real | 59.83 Å |
| Rg 误差 (实空间) rg_real_error | 1.74 Å |
| I(0) (实空间) i0_real | 1.3510e+10 |
| I(0) 误差 (实空间) i0_real_error | 3.1180e+08 |
| Rg (倒空间) rg_reciprocal | 60.41 Å |
| I(0) (倒空间) i0_reciprocal | 13520000000.0000 |
| 解质量估计 total_estimate | 0.8764 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 72.9 Å |
| 偏度 Skewness skewness | 0.111 |
| 峰度 Kurtosis kurtosis | -0.609 |
| 角度范围 angular_range | — – 0.1300 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 736300000.0000 |
| 实空间数据点数 n_real_points | 27 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.930; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.642 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (4)
6. 折叠分类 (SCOP + CATH) 54 domains
SCOP 2.08 (24 domains)
| 结构域编号 domain_id | d1n6da1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.36 — PDZ domain-like |
| 超家族 Superfamily superfamily | b.36.1 — PDZ domain-like |
| 家族 Family family | b.36.1.3 — Tail specific protease PDZ domain |
| 结构域编号 domain_id | d1n6da2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.68 — 6-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.68.7 — Tricorn protease N-terminal domain |
| 家族 Family family | b.68.7.1 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | d1n6da3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.69 — 7-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.69.9 — Tricorn protease domain 2 |
| 家族 Family family | b.69.9.1 — Tricorn protease domain 2 |
| 结构域编号 domain_id | d1n6da4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.14 — ClpP/crotonase |
| 超家族 Superfamily superfamily | c.14.1 — ClpP/crotonase |
| 家族 Family family | c.14.1.2 — Tail specific protease, catalytic domain |
| 结构域编号 domain_id | d1n6db1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.36 — PDZ domain-like |
| 超家族 Superfamily superfamily | b.36.1 — PDZ domain-like |
| 家族 Family family | b.36.1.3 — Tail specific protease PDZ domain |
| 结构域编号 domain_id | d1n6db2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.68 — 6-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.68.7 — Tricorn protease N-terminal domain |
| 家族 Family family | b.68.7.1 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | d1n6db3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.69 — 7-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.69.9 — Tricorn protease domain 2 |
| 家族 Family family | b.69.9.1 — Tricorn protease domain 2 |
| 结构域编号 domain_id | d1n6db4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.14 — ClpP/crotonase |
| 超家族 Superfamily superfamily | c.14.1 — ClpP/crotonase |
| 家族 Family family | c.14.1.2 — Tail specific protease, catalytic domain |
| 结构域编号 domain_id | d1n6dc1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.36 — PDZ domain-like |
| 超家族 Superfamily superfamily | b.36.1 — PDZ domain-like |
| 家族 Family family | b.36.1.3 — Tail specific protease PDZ domain |
| 结构域编号 domain_id | d1n6dc2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.68 — 6-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.68.7 — Tricorn protease N-terminal domain |
| 家族 Family family | b.68.7.1 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | d1n6dc3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.69 — 7-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.69.9 — Tricorn protease domain 2 |
| 家族 Family family | b.69.9.1 — Tricorn protease domain 2 |
| 结构域编号 domain_id | d1n6dc4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.14 — ClpP/crotonase |
| 超家族 Superfamily superfamily | c.14.1 — ClpP/crotonase |
| 家族 Family family | c.14.1.2 — Tail specific protease, catalytic domain |
| 结构域编号 domain_id | d1n6dd1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.36 — PDZ domain-like |
| 超家族 Superfamily superfamily | b.36.1 — PDZ domain-like |
| 家族 Family family | b.36.1.3 — Tail specific protease PDZ domain |
| 结构域编号 domain_id | d1n6dd2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.68 — 6-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.68.7 — Tricorn protease N-terminal domain |
| 家族 Family family | b.68.7.1 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | d1n6dd3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.69 — 7-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.69.9 — Tricorn protease domain 2 |
| 家族 Family family | b.69.9.1 — Tricorn protease domain 2 |
| 结构域编号 domain_id | d1n6dd4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.14 — ClpP/crotonase |
| 超家族 Superfamily superfamily | c.14.1 — ClpP/crotonase |
| 家族 Family family | c.14.1.2 — Tail specific protease, catalytic domain |
| 结构域编号 domain_id | d1n6de1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.36 — PDZ domain-like |
| 超家族 Superfamily superfamily | b.36.1 — PDZ domain-like |
| 家族 Family family | b.36.1.3 — Tail specific protease PDZ domain |
| 结构域编号 domain_id | d1n6de2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.68 — 6-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.68.7 — Tricorn protease N-terminal domain |
| 家族 Family family | b.68.7.1 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | d1n6de3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.69 — 7-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.69.9 — Tricorn protease domain 2 |
| 家族 Family family | b.69.9.1 — Tricorn protease domain 2 |
| 结构域编号 domain_id | d1n6de4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.14 — ClpP/crotonase |
| 超家族 Superfamily superfamily | c.14.1 — ClpP/crotonase |
| 家族 Family family | c.14.1.2 — Tail specific protease, catalytic domain |
| 结构域编号 domain_id | d1n6df1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.36 — PDZ domain-like |
| 超家族 Superfamily superfamily | b.36.1 — PDZ domain-like |
| 家族 Family family | b.36.1.3 — Tail specific protease PDZ domain |
| 结构域编号 domain_id | d1n6df2 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.68 — 6-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.68.7 — Tricorn protease N-terminal domain |
| 家族 Family family | b.68.7.1 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | d1n6df3 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.69 — 7-bladed beta-propeller |
| 超家族 Superfamily superfamily | b.69.9 — Tricorn protease domain 2 |
| 家族 Family family | b.69.9.1 — Tricorn protease domain 2 |
| 结构域编号 domain_id | d1n6df4 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.14 — ClpP/crotonase |
| 超家族 Superfamily superfamily | c.14.1 — ClpP/crotonase |
| 家族 Family family | c.14.1.2 — Tail specific protease, catalytic domain |
CATH v4.4 (30 domains)
| 结构域编号 domain_id | 1n6dA01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 120 — 6 Propeller |
| 拓扑 Topology topology | 10 — Neuraminidase |
| 同源超家族 H-superfamily homologous superfamily | 60 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | 1n6dA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 130 — 7 Propeller |
| 拓扑 Topology topology | 10 — Methylamine Dehydrogenase; Chain H |
| 同源超家族 H-superfamily homologous superfamily | 10 — YVTN repeat-like/Quinoprotein amine dehydrogenase |
| 结构域编号 domain_id | 1n6dA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 44 — |
| 结构域编号 domain_id | 1n6dA04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 42 — Pdz3 Domain |
| 同源超家族 H-superfamily homologous superfamily | 10 — PDZ domain |
| 结构域编号 domain_id | 1n6dA05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 226 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 结构域编号 domain_id | 1n6dB01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 120 — 6 Propeller |
| 拓扑 Topology topology | 10 — Neuraminidase |
| 同源超家族 H-superfamily homologous superfamily | 60 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | 1n6dB02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 130 — 7 Propeller |
| 拓扑 Topology topology | 10 — Methylamine Dehydrogenase; Chain H |
| 同源超家族 H-superfamily homologous superfamily | 10 — YVTN repeat-like/Quinoprotein amine dehydrogenase |
| 结构域编号 domain_id | 1n6dB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 44 — |
| 结构域编号 domain_id | 1n6dB04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 42 — Pdz3 Domain |
| 同源超家族 H-superfamily homologous superfamily | 10 — PDZ domain |
| 结构域编号 domain_id | 1n6dB05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 226 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 结构域编号 domain_id | 1n6dC01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 120 — 6 Propeller |
| 拓扑 Topology topology | 10 — Neuraminidase |
| 同源超家族 H-superfamily homologous superfamily | 60 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | 1n6dC02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 130 — 7 Propeller |
| 拓扑 Topology topology | 10 — Methylamine Dehydrogenase; Chain H |
| 同源超家族 H-superfamily homologous superfamily | 10 — YVTN repeat-like/Quinoprotein amine dehydrogenase |
| 结构域编号 domain_id | 1n6dC03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 44 — |
| 结构域编号 domain_id | 1n6dC04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 42 — Pdz3 Domain |
| 同源超家族 H-superfamily homologous superfamily | 10 — PDZ domain |
| 结构域编号 domain_id | 1n6dC05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 226 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 结构域编号 domain_id | 1n6dD01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 120 — 6 Propeller |
| 拓扑 Topology topology | 10 — Neuraminidase |
| 同源超家族 H-superfamily homologous superfamily | 60 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | 1n6dD02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 130 — 7 Propeller |
| 拓扑 Topology topology | 10 — Methylamine Dehydrogenase; Chain H |
| 同源超家族 H-superfamily homologous superfamily | 10 — YVTN repeat-like/Quinoprotein amine dehydrogenase |
| 结构域编号 domain_id | 1n6dD03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 44 — |
| 结构域编号 domain_id | 1n6dD04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 42 — Pdz3 Domain |
| 同源超家族 H-superfamily homologous superfamily | 10 — PDZ domain |
| 结构域编号 domain_id | 1n6dD05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 226 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 结构域编号 domain_id | 1n6dE01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 120 — 6 Propeller |
| 拓扑 Topology topology | 10 — Neuraminidase |
| 同源超家族 H-superfamily homologous superfamily | 60 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | 1n6dE02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 130 — 7 Propeller |
| 拓扑 Topology topology | 10 — Methylamine Dehydrogenase; Chain H |
| 同源超家族 H-superfamily homologous superfamily | 10 — YVTN repeat-like/Quinoprotein amine dehydrogenase |
| 结构域编号 domain_id | 1n6dE03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 44 — |
| 结构域编号 domain_id | 1n6dE04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 42 — Pdz3 Domain |
| 同源超家族 H-superfamily homologous superfamily | 10 — PDZ domain |
| 结构域编号 domain_id | 1n6dE05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 226 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 结构域编号 domain_id | 1n6dF01 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 120 — 6 Propeller |
| 拓扑 Topology topology | 10 — Neuraminidase |
| 同源超家族 H-superfamily homologous superfamily | 60 — Tricorn protease N-terminal domain |
| 结构域编号 domain_id | 1n6dF02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 130 — 7 Propeller |
| 拓扑 Topology topology | 10 — Methylamine Dehydrogenase; Chain H |
| 同源超家族 H-superfamily homologous superfamily | 10 — YVTN repeat-like/Quinoprotein amine dehydrogenase |
| 结构域编号 domain_id | 1n6dF03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 750 — Transcription Regulator spoIIAA |
| 同源超家族 H-superfamily homologous superfamily | 44 — |
| 结构域编号 domain_id | 1n6dF04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 42 — Pdz3 Domain |
| 同源超家族 H-superfamily homologous superfamily | 10 — PDZ domain |
| 结构域编号 domain_id | 1n6dF05 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 226 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — 2-enoyl-CoA Hydratase; Chain A, domain 1 |