1ldn
STRUCTURE OF A TERNARY COMPLEX OF AN ALLOSTERIC LACTATE DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS AT 2.5 ANGSTROMS 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 | 1ldn |
| 沉积日期 deposition_date | 1991-11-19 |
| 结构标题 title | STRUCTURE OF A TERNARY COMPLEX OF AN ALLOSTERIC LACTATE DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS AT 2.5 ANGSTROMS RESOLUTION |
| 关键词 keywords | OXIDOREDUCTASE(CHOH(D)-NAD(A)); OXIDOREDUCTASE(CHOH(D)-NAD(A)) |
| 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 | 53.47 Å |
| 回转半径 Rg (电子) rg_electron | 53.69 Å |
| 零角强度 I(0) i0 | 1146650000.00 |
| 分子量 molecular_weight | 283810.0 kDa |
| 排除体积 excluded_volume | 355070 ų |
| 包络体积 envelope_volume | 441740 ų |
| 水化壳体积 shell_volume | 69609 ų |
| 包络直径 envelope_diameter | 175.4 Å |
| 壳层 Rg shell_rg | 54.50 Å |
| 包络 Rg envelope_rg | 52.84 Å |
| 形状 Rg shape_rg | 53.70 Å |
| 总 Rg total_rg | 53.69 Å |
| 总原子数 total_atoms | 20004 |
| 残基数 n_residues | 2528 |
| 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 | 167.1 Å |
| Rg (实空间) rg_real | 53.82 Å |
| Rg 误差 (实空间) rg_real_error | 1.32 Å |
| I(0) (实空间) i0_real | 1.1470e+09 |
| I(0) 误差 (实空间) i0_real_error | 2.0200e+07 |
| Rg (倒空间) rg_reciprocal | 53.15 Å |
| I(0) (倒空间) i0_reciprocal | 1146000000.0000 |
| 解质量估计 total_estimate | 0.7657 |
| 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 | 46.1 Å |
| 偏度 Skewness skewness | 0.411 |
| 峰度 Kurtosis kurtosis | -0.790 |
| 角度范围 angular_range | — – 0.1450 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 171100000.0000 |
| 实空间数据点数 n_real_points | 30 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.677; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.897; Smooth: 0.020 |
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) 32 domains
SCOP 2.08 (16 domains)
| 结构域编号 domain_id | d1ldna1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.5 — LDH N-terminal domain-like |
| 结构域编号 domain_id | d1ldna2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.162 — LDH C-terminal domain-like |
| 超家族 Superfamily superfamily | d.162.1 — LDH C-terminal domain-like |
| 家族 Family family | d.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain |
| 结构域编号 domain_id | d1ldnb1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.5 — LDH N-terminal domain-like |
| 结构域编号 domain_id | d1ldnb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.162 — LDH C-terminal domain-like |
| 超家族 Superfamily superfamily | d.162.1 — LDH C-terminal domain-like |
| 家族 Family family | d.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain |
| 结构域编号 domain_id | d1ldnc1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.5 — LDH N-terminal domain-like |
| 结构域编号 domain_id | d1ldnc2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.162 — LDH C-terminal domain-like |
| 超家族 Superfamily superfamily | d.162.1 — LDH C-terminal domain-like |
| 家族 Family family | d.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain |
| 结构域编号 domain_id | d1ldnd1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.5 — LDH N-terminal domain-like |
| 结构域编号 domain_id | d1ldnd2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.162 — LDH C-terminal domain-like |
| 超家族 Superfamily superfamily | d.162.1 — LDH C-terminal domain-like |
| 家族 Family family | d.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain |
| 结构域编号 domain_id | d1ldne1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.5 — LDH N-terminal domain-like |
| 结构域编号 domain_id | d1ldne2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.162 — LDH C-terminal domain-like |
| 超家族 Superfamily superfamily | d.162.1 — LDH C-terminal domain-like |
| 家族 Family family | d.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain |
| 结构域编号 domain_id | d1ldnf1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.5 — LDH N-terminal domain-like |
| 结构域编号 domain_id | d1ldnf2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.162 — LDH C-terminal domain-like |
| 超家族 Superfamily superfamily | d.162.1 — LDH C-terminal domain-like |
| 家族 Family family | d.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain |
| 结构域编号 domain_id | d1ldng1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.5 — LDH N-terminal domain-like |
| 结构域编号 domain_id | d1ldng2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.162 — LDH C-terminal domain-like |
| 超家族 Superfamily superfamily | d.162.1 — LDH C-terminal domain-like |
| 家族 Family family | d.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain |
| 结构域编号 domain_id | d1ldnh1 |
| 类 Class class | c — Alpha and beta proteins (a/b) |
| 折叠类型 Fold fold | c.2 — NAD(P)-binding Rossmann-fold domains |
| 超家族 Superfamily superfamily | c.2.1 — NAD(P)-binding Rossmann-fold domains |
| 家族 Family family | c.2.1.5 — LDH N-terminal domain-like |
| 结构域编号 domain_id | d1ldnh2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.162 — LDH C-terminal domain-like |
| 超家族 Superfamily superfamily | d.162.1 — LDH C-terminal domain-like |
| 家族 Family family | d.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain |
CATH v4.4 (16 domains)
| 结构域编号 domain_id | 1ldnA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 1ldnA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal |
| 结构域编号 domain_id | 1ldnB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 1ldnB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal |
| 结构域编号 domain_id | 1ldnC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 1ldnC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal |
| 结构域编号 domain_id | 1ldnD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 1ldnD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal |
| 结构域编号 domain_id | 1ldnE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 1ldnE02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal |
| 结构域编号 domain_id | 1ldnF01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 1ldnF02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal |
| 结构域编号 domain_id | 1ldnG01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 1ldnG02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal |
| 结构域编号 domain_id | 1ldnH01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 40 — 3-Layer(aba) Sandwich |
| 拓扑 Topology topology | 50 — Rossmann fold |
| 同源超家族 H-superfamily homologous superfamily | 720 — NAD(P)-binding Rossmann-like Domain |
| 结构域编号 domain_id | 1ldnH02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal |