1z03
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 | 1z03 |
| 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 | 59.66 Å |
| 回转半径 Rg (电子) rg_electron | 60.45 Å |
| 零角强度 I(0) i0 | 1242390000.00 |
| 分子量 molecular_weight | 295420.0 kDa |
| 排除体积 excluded_volume | 368380 ų |
| 包络体积 envelope_volume | 489320 ų |
| 水化壳体积 shell_volume | 70619 ų |
| 包络直径 envelope_diameter | 199.1 Å |
| 壳层 Rg shell_rg | 55.86 Å |
| 包络 Rg envelope_rg | 59.81 Å |
| 形状 Rg shape_rg | 60.45 Å |
| 总 Rg total_rg | 60.35 Å |
| 总原子数 total_atoms | 20820 |
| 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 | 60.31 Å |
| Rg 误差 (实空间) rg_real_error | 1.81 Å |
| I(0) (实空间) i0_real | 1.2420e+09 |
| I(0) 误差 (实空间) i0_real_error | 2.7430e+07 |
| Rg (倒空间) rg_reciprocal | 59.05 Å |
| I(0) (倒空间) i0_reciprocal | 1240000000.0000 |
| 解质量估计 total_estimate | 0.7962 |
| 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 | -0.668 |
| 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 | 30940000.0000 |
| 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: 0.825; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.872; Smooth: 0.001 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 30 domains
SCOP 2.08 (12 domains)
| 结构域编号 domain_id | d1z03a1 |
| 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 | d1z03a2 |
| 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 | d1z03b1 |
| 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 | d1z03b2 |
| 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 | d1z03c1 |
| 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 | d1z03c2 |
| 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 | d1z03d1 |
| 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 | d1z03d2 |
| 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 | d1z03e1 |
| 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 | d1z03e2 |
| 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 | d1z03f1 |
| 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 | d1z03f2 |
| 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 | 1z03A01 |
| 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 | 1z03A02 |
| 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 | 1z03A03 |
| 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 | 1z03B01 |
| 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 | 1z03B02 |
| 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 | 1z03B03 |
| 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 | 1z03C01 |
| 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 | 1z03C02 |
| 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 | 1z03C03 |
| 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 | 1z03D01 |
| 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 | 1z03D02 |
| 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 | 1z03D03 |
| 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 | 1z03E01 |
| 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 | 1z03E02 |
| 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 | 1z03E03 |
| 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 | 1z03F01 |
| 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 | 1z03F02 |
| 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 | 1z03F03 |
| 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 — |