1z01
2-Oxoquinoline 8-Monooxygenase Component: Active site Modulation by Rieske-[2fe-2S] Center Oxidation/Reduction
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 | 1z01 |
| 沉积日期 deposition_date | 2005-03-01 |
| 结构标题 title | 2-Oxoquinoline 8-Monooxygenase Component: Active site Modulation by Rieske-[2fe-2S] Center Oxidation/Reduction |
| 关键词 keywords | Monooxygenase, Rieske Center, Oxygen Binding/Activation, Substrate bound complex, OXIDOREDUCTASE; OXIDOREDUCTASE |
| 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 | 59.67 Å |
| 回转半径 Rg (电子) rg_electron | 60.47 Å |
| 零角强度 I(0) i0 | 1238900000.00 |
| 分子量 molecular_weight | 294550.0 kDa |
| 排除体积 excluded_volume | 367200 ų |
| 包络体积 envelope_volume | 494300 ų |
| 水化壳体积 shell_volume | 71165 ų |
| 包络直径 envelope_diameter | 200.9 Å |
| 壳层 Rg shell_rg | 55.76 Å |
| 包络 Rg envelope_rg | 59.88 Å |
| 形状 Rg shape_rg | 60.47 Å |
| 总 Rg total_rg | 60.36 Å |
| 总原子数 total_atoms | 20754 |
| 残基数 n_residues | 2562 |
| 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 | 186.4 Å |
| Rg (实空间) rg_real | 60.32 Å |
| Rg 误差 (实空间) rg_real_error | 1.82 Å |
| I(0) (实空间) i0_real | 1.2390e+09 |
| I(0) 误差 (实空间) i0_real_error | 2.5800e+07 |
| Rg (倒空间) rg_reciprocal | 59.06 Å |
| I(0) (倒空间) i0_reciprocal | 1236000000.0000 |
| 解质量估计 total_estimate | 0.7956 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 50.2 Å |
| 偏度 Skewness skewness | 0.455 |
| 峰度 Kurtosis kurtosis | -0.666 |
| 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 | 31950000.0000 |
| 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: 0.822; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.875; Smooth: 0.001 |
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) 30 domains
SCOP 2.08 (12 domains)
| 结构域编号 domain_id | d1z01a1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.33 — ISP domain |
| 超家族 Superfamily superfamily | b.33.1 — ISP domain |
| 家族 Family family | b.33.1.2 — Ring hydroxylating alpha subunit ISP domain |
| 结构域编号 domain_id | d1z01a2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.129 — TBP-like |
| 超家族 Superfamily superfamily | d.129.3 — Bet v1-like |
| 家族 Family family | d.129.3.3 — Ring hydroxylating alpha subunit catalytic domain |
| 结构域编号 domain_id | d1z01b1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.33 — ISP domain |
| 超家族 Superfamily superfamily | b.33.1 — ISP domain |
| 家族 Family family | b.33.1.2 — Ring hydroxylating alpha subunit ISP domain |
| 结构域编号 domain_id | d1z01b2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.129 — TBP-like |
| 超家族 Superfamily superfamily | d.129.3 — Bet v1-like |
| 家族 Family family | d.129.3.3 — Ring hydroxylating alpha subunit catalytic domain |
| 结构域编号 domain_id | d1z01c1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.33 — ISP domain |
| 超家族 Superfamily superfamily | b.33.1 — ISP domain |
| 家族 Family family | b.33.1.2 — Ring hydroxylating alpha subunit ISP domain |
| 结构域编号 domain_id | d1z01c2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.129 — TBP-like |
| 超家族 Superfamily superfamily | d.129.3 — Bet v1-like |
| 家族 Family family | d.129.3.3 — Ring hydroxylating alpha subunit catalytic domain |
| 结构域编号 domain_id | d1z01d1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.33 — ISP domain |
| 超家族 Superfamily superfamily | b.33.1 — ISP domain |
| 家族 Family family | b.33.1.2 — Ring hydroxylating alpha subunit ISP domain |
| 结构域编号 domain_id | d1z01d2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.129 — TBP-like |
| 超家族 Superfamily superfamily | d.129.3 — Bet v1-like |
| 家族 Family family | d.129.3.3 — Ring hydroxylating alpha subunit catalytic domain |
| 结构域编号 domain_id | d1z01e1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.33 — ISP domain |
| 超家族 Superfamily superfamily | b.33.1 — ISP domain |
| 家族 Family family | b.33.1.2 — Ring hydroxylating alpha subunit ISP domain |
| 结构域编号 domain_id | d1z01e2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.129 — TBP-like |
| 超家族 Superfamily superfamily | d.129.3 — Bet v1-like |
| 家族 Family family | d.129.3.3 — Ring hydroxylating alpha subunit catalytic domain |
| 结构域编号 domain_id | d1z01f1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.33 — ISP domain |
| 超家族 Superfamily superfamily | b.33.1 — ISP domain |
| 家族 Family family | b.33.1.2 — Ring hydroxylating alpha subunit ISP domain |
| 结构域编号 domain_id | d1z01f2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.129 — TBP-like |
| 超家族 Superfamily superfamily | d.129.3 — Bet v1-like |
| 家族 Family family | d.129.3.3 — Ring hydroxylating alpha subunit catalytic domain |
CATH v4.4 (18 domains)
| 结构域编号 domain_id | 1z01A01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 380 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 结构域编号 domain_id | 1z01A02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 680 — |
| 结构域编号 domain_id | 1z01A03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1z01B01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 380 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 结构域编号 domain_id | 1z01B02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 680 — |
| 结构域编号 domain_id | 1z01B03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1z01C01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 380 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 结构域编号 domain_id | 1z01C02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 680 — |
| 结构域编号 domain_id | 1z01C03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1z01D01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 380 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 结构域编号 domain_id | 1z01D02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 680 — |
| 结构域编号 domain_id | 1z01D03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1z01E01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 380 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 结构域编号 domain_id | 1z01E02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 680 — |
| 结构域编号 domain_id | 1z01E03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 10 — |
| 结构域编号 domain_id | 1z01F01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 380 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1 |
| 结构域编号 domain_id | 1z01F02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 680 — |
| 结构域编号 domain_id | 1z01F03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 20 — Single Sheet |
| 拓扑 Topology topology | 25 — N-terminal domain of TfIIb |
| 同源超家族 H-superfamily homologous superfamily | 10 — |