2a2o
;CRYSTAL STRUCTURE OF a putativeTenA family transcriptional regulator (BT_3146) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.16 A RESOLUTION ;
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 | 2a2o |
| 沉积日期 deposition_date | 2005-06-22 |
| 结构标题 title | ;CRYSTAL STRUCTURE OF a putativeTenA family transcriptional regulator (BT_3146) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.16 A RESOLUTION ; |
| 关键词 keywords | ;PUTATIVE TENA FAMILY TRANSCRIPTIONAL REGULATOR, STRUCTURAL GENOMICS, JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, PROTEIN STRUCTURE INITIATIVE, PSI, TRANSCRIPTION ;; TRANSCRIPTION |
| 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 | 44.17 Å |
| 回转半径 Rg (电子) rg_electron | 43.65 Å |
| 零角强度 I(0) i0 | 510368000.00 |
| 分子量 molecular_weight | 186690.0 kDa |
| 排除体积 excluded_volume | 232030 ų |
| 包络体积 envelope_volume | 296410 ų |
| 水化壳体积 shell_volume | 55858 ų |
| 包络直径 envelope_diameter | 141.8 Å |
| 壳层 Rg shell_rg | 49.21 Å |
| 包络 Rg envelope_rg | 42.90 Å |
| 形状 Rg shape_rg | 43.59 Å |
| 总 Rg total_rg | 44.10 Å |
| 总原子数 total_atoms | 13018 |
| 残基数 n_residues | 1566 |
| 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 | 140.9 Å |
| Rg (实空间) rg_real | 45.51 Å |
| Rg 误差 (实空间) rg_real_error | 0.46 Å |
| I(0) (实空间) i0_real | 5.0780e+08 |
| I(0) 误差 (实空间) i0_real_error | 6.6950e+06 |
| Rg (倒空间) rg_reciprocal | 44.17 Å |
| I(0) (倒空间) i0_reciprocal | 510400000.0000 |
| 解质量估计 total_estimate | 0.6797 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 58.7 Å |
| 偏度 Skewness skewness | 0.276 |
| 峰度 Kurtosis kurtosis | -0.436 |
| 角度范围 angular_range | — – 0.1800 Å−1 |
| 当前正则化参数 α current_alpha | 1.8460 |
| 最高正则化参数 α highest_alpha | 20370000.0000 |
| 实空间数据点数 n_real_points | 37 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.974; Stabil: 0.902; Sysdev: 0.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.255 |
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) 14 domains
SCOP 2.08 (7 domains)
| 结构域编号 domain_id | d2a2oa_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.132 — Heme oxygenase-like |
| 超家族 Superfamily superfamily | a.132.1 — Heme oxygenase-like |
| 家族 Family family | a.132.1.3 — TENA/THI-4 |
| 结构域编号 domain_id | d2a2ob_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.132 — Heme oxygenase-like |
| 超家族 Superfamily superfamily | a.132.1 — Heme oxygenase-like |
| 家族 Family family | a.132.1.3 — TENA/THI-4 |
| 结构域编号 domain_id | d2a2oc_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.132 — Heme oxygenase-like |
| 超家族 Superfamily superfamily | a.132.1 — Heme oxygenase-like |
| 家族 Family family | a.132.1.3 — TENA/THI-4 |
| 结构域编号 domain_id | d2a2od_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.132 — Heme oxygenase-like |
| 超家族 Superfamily superfamily | a.132.1 — Heme oxygenase-like |
| 家族 Family family | a.132.1.3 — TENA/THI-4 |
| 结构域编号 domain_id | d2a2oe_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.132 — Heme oxygenase-like |
| 超家族 Superfamily superfamily | a.132.1 — Heme oxygenase-like |
| 家族 Family family | a.132.1.3 — TENA/THI-4 |
| 结构域编号 domain_id | d2a2of_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.132 — Heme oxygenase-like |
| 超家族 Superfamily superfamily | a.132.1 — Heme oxygenase-like |
| 家族 Family family | a.132.1.3 — TENA/THI-4 |
| 结构域编号 domain_id | d2a2og_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.132 — Heme oxygenase-like |
| 超家族 Superfamily superfamily | a.132.1 — Heme oxygenase-like |
| 家族 Family family | a.132.1.3 — TENA/THI-4 |
CATH v4.4 (7 domains)
| 结构域编号 domain_id | 2a2oA00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 910 — Heme Oxygenase; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Heme oxygenase-like |
| 结构域编号 domain_id | 2a2oB00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 910 — Heme Oxygenase; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Heme oxygenase-like |
| 结构域编号 domain_id | 2a2oC00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 910 — Heme Oxygenase; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Heme oxygenase-like |
| 结构域编号 domain_id | 2a2oD00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 910 — Heme Oxygenase; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Heme oxygenase-like |
| 结构域编号 domain_id | 2a2oE00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 910 — Heme Oxygenase; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Heme oxygenase-like |
| 结构域编号 domain_id | 2a2oF00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 910 — Heme Oxygenase; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Heme oxygenase-like |
| 结构域编号 domain_id | 2a2oG00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 910 — Heme Oxygenase; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 10 — Heme oxygenase-like |