2iub
Crystal structure of a divalent metal ion transporter CorA at 2.9 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 | 2iub |
| 沉积日期 deposition_date | 2006-06-01 |
| 结构标题 title | Crystal structure of a divalent metal ion transporter CorA at 2.9 A resolution. |
| 关键词 keywords | MEMBRANE PROTEIN, CORA, DIVALENT CATION, ION TRANSPORTER; MEMBRANE PROTEIN |
| 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 | 54.38 Å |
| 回转半径 Rg (电子) rg_electron | 54.52 Å |
| 零角强度 I(0) i0 | 1906170000.00 |
| 分子量 molecular_weight | 390680.0 kDa |
| 排除体积 excluded_volume | 499240 ų |
| 包络体积 envelope_volume | 691770 ų |
| 水化壳体积 shell_volume | 105660 ų |
| 包络直径 envelope_diameter | 191.0 Å |
| 壳层 Rg shell_rg | 56.87 Å |
| 包络 Rg envelope_rg | 53.59 Å |
| 形状 Rg shape_rg | 54.52 Å |
| 总 Rg total_rg | 54.60 Å |
| 总原子数 total_atoms | 27567 |
| 残基数 n_residues | 3353 |
| 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 | 184.3 Å |
| Rg (实空间) rg_real | 54.40 Å |
| Rg 误差 (实空间) rg_real_error | 1.47 Å |
| I(0) (实空间) i0_real | 1.9060e+09 |
| I(0) 误差 (实空间) i0_real_error | 3.3280e+07 |
| Rg (倒空间) rg_reciprocal | 54.35 Å |
| I(0) (倒空间) i0_reciprocal | 1906000000.0000 |
| 解质量估计 total_estimate | 0.8702 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 63.6 Å |
| 偏度 Skewness skewness | 0.352 |
| 峰度 Kurtosis kurtosis | -0.361 |
| 角度范围 angular_range | — – 0.1450 Å−1 |
| 当前正则化参数 α current_alpha | 0.0001 |
| 最高正则化参数 α highest_alpha | 126300000.0000 |
| 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: 0.839; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.795 |
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) 50 domains
SCOP 2.08 (20 domains)
| 结构域编号 domain_id | d2iuba1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iuba2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iubb1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iubb2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iubc1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iubc2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iubd1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iubd2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iube1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iube2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iubf1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iubf2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iubg1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iubg2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iubh1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iubh2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iubi1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iubi2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | d2iubj1 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.328 — CorA soluble domain-like |
| 超家族 Superfamily superfamily | d.328.1 — CorA soluble domain-like |
| 家族 Family family | d.328.1.1 — CorA soluble domain-like |
| 结构域编号 domain_id | d2iubj2 |
| 类 Class class | f — Membrane and cell surface proteins and peptides |
| 折叠类型 Fold fold | f.17 — Transmembrane helix hairpin |
| 超家族 Superfamily superfamily | f.17.3 — Magnesium transport protein CorA, transmembrane region |
| 家族 Family family | f.17.3.1 — Magnesium transport protein CorA, transmembrane region |
CATH v4.4 (30 domains)
| 结构域编号 domain_id | 2iubA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubA02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubA03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubB03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubC02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubC03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubD02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubD03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubE02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubE03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubF01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubF02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubF03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubG01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubG02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubG03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubH01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubH02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubH03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubI01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubI02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubI03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubJ01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 460 — Beta Polymerase; domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 20 — CorA soluble domain-like |
| 结构域编号 domain_id | 2iubJ02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |
| 结构域编号 domain_id | 2iubJ03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 340 — Magnesium transport protein CorA, transmembrane region |