1hbm
METHYL-COENZYME M REDUCTASE ENZYME PRODUCT COMPLEX
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 | 1hbm |
| 沉积日期 deposition_date | 2001-04-20 |
| 结构标题 title | METHYL-COENZYME M REDUCTASE ENZYME PRODUCT COMPLEX |
| 关键词 keywords | METHANOGENESIS, BIOLOGICAL METHANOGENESIS, NI-ENZYME, OXIDOREDUCTASE; METHANOGENESIS |
| 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 | 38.65 Å |
| 回转半径 Rg (电子) rg_electron | 37.78 Å |
| 零角强度 I(0) i0 | 1149630000.00 |
| 分子量 molecular_weight | 275880.0 kDa |
| 排除体积 excluded_volume | 343350 ų |
| 包络体积 envelope_volume | 396030 ų |
| 水化壳体积 shell_volume | 80617 ų |
| 包络直径 envelope_diameter | 128.1 Å |
| 壳层 Rg shell_rg | 47.78 Å |
| 包络 Rg envelope_rg | 38.13 Å |
| 形状 Rg shape_rg | 37.80 Å |
| 总 Rg total_rg | 38.20 Å |
| 总原子数 total_atoms | 19375 |
| 残基数 n_residues | 2464 |
| 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 | 122.8 Å |
| Rg (实空间) rg_real | 38.46 Å |
| Rg 误差 (实空间) rg_real_error | 0.58 Å |
| I(0) (实空间) i0_real | 1.1500e+09 |
| I(0) 误差 (实空间) i0_real_error | 1.6890e+07 |
| Rg (倒空间) rg_reciprocal | 38.58 Å |
| I(0) (倒空间) i0_reciprocal | 1150000000.0000 |
| 解质量估计 total_estimate | 0.8814 |
| 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 | 47.9 Å |
| 偏度 Skewness skewness | 0.257 |
| 峰度 Kurtosis kurtosis | -0.341 |
| 角度范围 angular_range | — – 0.2050 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 524100000.0000 |
| 实空间数据点数 n_real_points | 42 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.877; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.844 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (11)
6. 折叠分类 (SCOP + CATH) 22 domains
SCOP 2.08 (10 domains)
| 结构域编号 domain_id | d1hbma1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.89 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 超家族 Superfamily superfamily | a.89.1 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 家族 Family family | a.89.1.1 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 结构域编号 domain_id | d1hbma2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.31 — Methyl-coenzyme M reductase subunits |
| 家族 Family family | d.58.31.2 — Methyl-coenzyme M reductase alpha and beta chain N-terminal domain |
| 结构域编号 domain_id | d1hbmb1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.89 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 超家族 Superfamily superfamily | a.89.1 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 家族 Family family | a.89.1.1 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 结构域编号 domain_id | d1hbmb2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.31 — Methyl-coenzyme M reductase subunits |
| 家族 Family family | d.58.31.2 — Methyl-coenzyme M reductase alpha and beta chain N-terminal domain |
| 结构域编号 domain_id | d1hbmc_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.31 — Methyl-coenzyme M reductase subunits |
| 家族 Family family | d.58.31.1 — Methyl-coenzyme M reductase gamma chain |
| 结构域编号 domain_id | d1hbmd1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.89 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 超家族 Superfamily superfamily | a.89.1 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 家族 Family family | a.89.1.1 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 结构域编号 domain_id | d1hbmd2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.31 — Methyl-coenzyme M reductase subunits |
| 家族 Family family | d.58.31.2 — Methyl-coenzyme M reductase alpha and beta chain N-terminal domain |
| 结构域编号 domain_id | d1hbme1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.89 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 超家族 Superfamily superfamily | a.89.1 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 家族 Family family | a.89.1.1 — Methyl-coenzyme M reductase alpha and beta chain C-terminal domain |
| 结构域编号 domain_id | d1hbme2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.31 — Methyl-coenzyme M reductase subunits |
| 家族 Family family | d.58.31.2 — Methyl-coenzyme M reductase alpha and beta chain N-terminal domain |
| 结构域编号 domain_id | d1hbmf_ |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.58 — Ferredoxin-like |
| 超家族 Superfamily superfamily | d.58.31 — Methyl-coenzyme M reductase subunits |
| 家族 Family family | d.58.31.1 — Methyl-coenzyme M reductase gamma chain |
CATH v4.4 (12 domains)
| 结构域编号 domain_id | 1hbmA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 390 — Methyl-coenzyme M Reductase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Methyl-coenzyme M Reductase; Chain A, domain 1 |
| 结构域编号 domain_id | 1hbmA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 470 — |
| 结构域编号 domain_id | 1hbmA03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 840 — Methyl-coenzyme M Reductase; Chain B, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Methyl-coenzyme M reductase, alpha/beta subunit, C-terminal |
| 结构域编号 domain_id | 1hbmB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 470 — |
| 结构域编号 domain_id | 1hbmB02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 840 — Methyl-coenzyme M Reductase; Chain B, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Methyl-coenzyme M reductase, alpha/beta subunit, C-terminal |
| 结构域编号 domain_id | 1hbmC00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 320 — Lambda Exonuclease; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 20 — Methyl-coenzyme M reductase, gamma subunit |
| 结构域编号 domain_id | 1hbmD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 390 — Methyl-coenzyme M Reductase; Chain A, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Methyl-coenzyme M Reductase; Chain A, domain 1 |
| 结构域编号 domain_id | 1hbmD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 470 — |
| 结构域编号 domain_id | 1hbmD03 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 840 — Methyl-coenzyme M Reductase; Chain B, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Methyl-coenzyme M reductase, alpha/beta subunit, C-terminal |
| 结构域编号 domain_id | 1hbmE01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 70 — Alpha-Beta Plaits |
| 同源超家族 H-superfamily homologous superfamily | 470 — |
| 结构域编号 domain_id | 1hbmE02 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 840 — Methyl-coenzyme M Reductase; Chain B, domain 2 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Methyl-coenzyme M reductase, alpha/beta subunit, C-terminal |
| 结构域编号 domain_id | 1hbmF00 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 90 — Alpha-Beta Complex |
| 拓扑 Topology topology | 320 — Lambda Exonuclease; Chain A |
| 同源超家族 H-superfamily homologous superfamily | 20 — Methyl-coenzyme M reductase, gamma subunit |