1k0r
Crystal Structure of Mycobacterium tuberculosis NusA
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 | 1k0r |
| 沉积日期 deposition_date | 2001-09-20 |
| 结构标题 title | Crystal Structure of Mycobacterium tuberculosis NusA |
| 关键词 keywords | ;Two component arrangement, S1 domain, two K-homology domains., Structural Genomics, PSI, Protein Structure Initiative, TB Structural Genomics Consortium, TBSGC, 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 | 34.05 Å |
| 回转半径 Rg (电子) rg_electron | 33.33 Å |
| 零角强度 I(0) i0 | 89932300.00 |
| 分子量 molecular_weight | 70859.0 kDa |
| 排除体积 excluded_volume | 87433 ų |
| 包络体积 envelope_volume | 134950 ų |
| 水化壳体积 shell_volume | 35447 ų |
| 包络直径 envelope_diameter | 117.2 Å |
| 壳层 Rg shell_rg | 38.34 Å |
| 包络 Rg envelope_rg | 32.81 Å |
| 形状 Rg shape_rg | 33.32 Å |
| 总 Rg total_rg | 33.81 Å |
| 总原子数 total_atoms | 4972 |
| 残基数 n_residues | 652 |
| 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 | 108.1 Å |
| Rg (实空间) rg_real | 33.95 Å |
| Rg 误差 (实空间) rg_real_error | 0.85 Å |
| I(0) (实空间) i0_real | 8.9930e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.6080e+06 |
| Rg (倒空间) rg_reciprocal | 34.02 Å |
| I(0) (倒空间) i0_reciprocal | 89940000.0000 |
| 解质量估计 total_estimate | 0.9098 |
| 解质量评级 solution_quality | EXCELLENT a EXCELLENT solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 42.3 Å |
| 偏度 Skewness skewness | 0.128 |
| 峰度 Kurtosis kurtosis | -0.604 |
| 角度范围 angular_range | — – 0.2300 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 5828000.0000 |
| 实空间数据点数 n_real_points | 47 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.953; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.965 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (3)
6. 折叠分类 (SCOP + CATH) 18 domains
SCOP 2.08 (10 domains)
| 结构域编号 domain_id | d1k0ra1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.4 — Nucleic acid-binding proteins |
| 家族 Family family | b.40.4.5 — Cold shock DNA-binding domain-like |
| 结构域编号 domain_id | d1k0ra2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.52 — Alpha-lytic protease prodomain-like |
| 超家族 Superfamily superfamily | d.52.3 — Prokaryotic type KH domain (KH-domain type II) |
| 家族 Family family | d.52.3.1 — Prokaryotic type KH domain (KH-domain type II) |
| 结构域编号 domain_id | d1k0ra3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.52 — Alpha-lytic protease prodomain-like |
| 超家族 Superfamily superfamily | d.52.3 — Prokaryotic type KH domain (KH-domain type II) |
| 家族 Family family | d.52.3.1 — Prokaryotic type KH domain (KH-domain type II) |
| 结构域编号 domain_id | d1k0ra4 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.202 — Transcription factor NusA, N-terminal domain |
| 超家族 Superfamily superfamily | d.202.1 — Transcription factor NusA, N-terminal domain |
| 家族 Family family | d.202.1.1 — Transcription factor NusA, N-terminal domain |
| 结构域编号 domain_id | d1k0ra5 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
| 结构域编号 domain_id | d1k0rb1 |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.40 — OB-fold |
| 超家族 Superfamily superfamily | b.40.4 — Nucleic acid-binding proteins |
| 家族 Family family | b.40.4.5 — Cold shock DNA-binding domain-like |
| 结构域编号 domain_id | d1k0rb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.52 — Alpha-lytic protease prodomain-like |
| 超家族 Superfamily superfamily | d.52.3 — Prokaryotic type KH domain (KH-domain type II) |
| 家族 Family family | d.52.3.1 — Prokaryotic type KH domain (KH-domain type II) |
| 结构域编号 domain_id | d1k0rb3 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.52 — Alpha-lytic protease prodomain-like |
| 超家族 Superfamily superfamily | d.52.3 — Prokaryotic type KH domain (KH-domain type II) |
| 家族 Family family | d.52.3.1 — Prokaryotic type KH domain (KH-domain type II) |
| 结构域编号 domain_id | d1k0rb4 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.202 — Transcription factor NusA, N-terminal domain |
| 超家族 Superfamily superfamily | d.202.1 — Transcription factor NusA, N-terminal domain |
| 家族 Family family | d.202.1.1 — Transcription factor NusA, N-terminal domain |
| 结构域编号 domain_id | d1k0rb5 |
| 类 Class class | l — Artifacts |
| 折叠类型 Fold fold | l.1 — Tags |
| 超家族 Superfamily superfamily | l.1.1 — Tags |
| 家族 Family family | l.1.1.1 — Tags |
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 1k0rA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1480 — N Utilization Substance Protein A; Chain:P; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — NusA, N-terminal domain |
| 结构域编号 domain_id | 1k0rA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 140 — Nucleic acid-binding proteins |
| 结构域编号 domain_id | 1k0rA03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 300 — GMP Synthetase; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 20 — K homology (KH) domain |
| 结构域编号 domain_id | 1k0rA04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 300 — GMP Synthetase; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 20 — K homology (KH) domain |
| 结构域编号 domain_id | 1k0rB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 1480 — N Utilization Substance Protein A; Chain:P; domain 4 |
| 同源超家族 H-superfamily homologous superfamily | 10 — NusA, N-terminal domain |
| 结构域编号 domain_id | 1k0rB02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 40 — Beta Barrel |
| 拓扑 Topology topology | 50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P) |
| 同源超家族 H-superfamily homologous superfamily | 140 — Nucleic acid-binding proteins |
| 结构域编号 domain_id | 1k0rB03 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 300 — GMP Synthetase; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 20 — K homology (KH) domain |
| 结构域编号 domain_id | 1k0rB04 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 300 — GMP Synthetase; Chain A, domain 3 |
| 同源超家族 H-superfamily homologous superfamily | 20 — K homology (KH) domain |