微科盟生科云群落基因组尺度代谢模型(Community GEM)分析帮助文档

本帮助文档旨在指导用户理解群落基因组尺度代谢模型(Community GEM)分析结果,并提供科研论文中描述分析结果的参考示例。

分析原理

群落基因组尺度代谢模型(Community GEM)是在单物种基因组尺度代谢模型(GEM)的基础上,通过整合多个物种的GEM模型,构建包含群落中所有微生物代谢反应的数学模型。本工具使用CarveMe软件(1.6.5版本)的merge_community命令,合并多个MAG(宏基因组组装基因组)的代谢模型,生成群落水平的代谢网络,并绘制网络图。

关键步骤:

  1. 单物种GEM构建:用户选择通用细菌模板(bacteria)、革兰氏阳性菌(grampos)或革兰氏阴性菌(gramneg)模板,为每个选择的MAG构建单物种GEM
  2. 群落模型合并:CarveMe的merge_community命令将多个单物种GEM模型合并,创建共享的细胞外环境区室(ext),形成群落尺度的代谢网络
  3. 网络可视化:将合并后的SBML格式群落代谢模型转换为网络图,自动识别群落模型并采用网格+同心圆混合布局
  4. 区室表示:不同区室的代谢物以不同颜色表示,每个MAG内部节点以同心圆布局展示(C_c: 胞质为内圈, C_p: 周质空间为外圈),群落共享的ext区室节点分布在整体外围矩形框上
学术概念补充:

结果文件解读

分析完成后,系统生成以下文件:

1. community.xml

这是合并后的群落基因组尺度代谢模型文件,采用SBML格式,可使用记事本打开查看。与单物种模型相比,群落模型的XML包含以下关键特征:

以下是一个简化的群落SBML文件结构示例:

<?xml version="1.0" encoding="UTF-8"?>
<sbml xmlns="http://www.sbml.org/sbml/level3/version1/core" level="3" version="1">
  <model id="community">
    <listOfCompartments>
      <compartment id="ext" name="extracellular environment"/>
      <compartment id="C_c_MAG_T21_45" name="cytosol"/>
      <compartment id="C_p_MAG_T21_45" name="periplasm"/>
      <compartment id="C_c_MAG_T11_53" name="cytosol"/>
      <compartment id="C_p_MAG_T11_53" name="periplasm"/>
    </listOfCompartments>
    <listOfSpecies>
      <species id="community_biomass" name="Total community biomass" compartment="ext"/>
      <species id="M_10fthf_c_MAG_T21_45" name="10-Formyltetrahydrofolate" compartment="C_c_MAG_T21_45"/>
      <species id="M_h2o_c_MAG_T21_45" name="Water" compartment="C_c_MAG_T21_45"/>
      <species id="M_10fthf_c_MAG_T11_53" name="10-Formyltetrahydrofolate" compartment="C_c_MAG_T11_53"/>
    </listOfSpecies>
    <listOfReactions>
      <reaction id="R_AICART_MAG_T21_45" name="Phosphoribosylaminoimidazolecarboxamide formyltransferase" reversible="true">
        <listOfReactants>
          <speciesReference species="M_10fthf_c_MAG_T21_45" stoichiometry="1"/>
        </listOfReactants>
        <listOfProducts>
          <speciesReference species="M_fprica_c_MAG_T21_45" stoichiometry="1"/>
        </listOfProducts>
      </reaction>
      <reaction id="Growth_MAG_T21_45" name="Biomass reaction" reversible="false">
        <listOfReactants>
          <speciesReference species="M_10fthf_c_MAG_T21_45" stoichiometry="1"/>
          <speciesReference species="M_h2o_c_MAG_T21_45" stoichiometry="1"/>
        </listOfReactants>
        <listOfProducts>
          <speciesReference species="community_biomass" stoichiometry="1"/>
        </listOfProducts>
      </reaction>
    </listOfReactions>
  </model>
</sbml>
        

关键元素解读:

元素 描述 群落模型特有解读
<species>(带MAG后缀) 代谢物ID包含MAG标识,如M_10fthf_c_MAG_T21_45 区分不同物种的同名代谢物,分析种间代谢差异
<reaction>(带MAG后缀) 反应ID包含MAG标识,如R_AICART_MAG_T21_45 区分不同物种的代谢反应,比较物种间代谢能力
<compartment id="ext"> 群落共享的细胞外环境区室 模拟群落中微生物间的代谢物交换(交叉喂养)
community_biomass 群落总生物量代谢物,位于ext区室 各物种的生长反应均贡献群落总生物量
Growth_MAG_* 反应 各物种的生物量合成反应,产物为community_biomass 反映物种对群落整体生长的贡献

2. community_network.svg

静态群落代谢网络图,以SVG矢量格式呈现,采用网格+同心圆混合布局:

群落代谢网络图

布局解读:

3. community_nodes.xls

代谢物节点信息表,包含以下列:

列名 描述 示例
id 代谢物唯一标识符(MAG后缀标明所属物种);可能来自于 BiGG数据库 M_10fthf_c_MAG_T21_45
name 代谢物名称 10-Formyltetrahydrofolate
compartment 所在区室(MAG后缀标明物种,ext区室为群落共享) C_c_MAG_T21_45
degree 连接度 13

示例数据(按degree降序展示高连接度节点):

                             id                              name        compartment  degree
0          community_biomass          Total community biomass                ext     106
1  M_10fthf_c_MAG_T21_45       10-Formyltetrahydrofolate  C_c_MAG_T21_45      13
2  M_12dgr140_c_MAG_T21_45  1,2-Diacyl-sn-... (n-C14:0)  C_c_MAG_T21_45       4
3  M_12dgr140_p_MAG_T21_45  1,2-Diacyl-sn-... (n-C14:0)  C_p_MAG_T21_45       3
4  M_12dgr160_c_MAG_T21_45  1,2-Diacyl-sn-... (n-C16:0)  C_c_MAG_T21_45       6
5  M_12dgr160_p_MAG_T21_45  1,2-Diacyl-sn-... (n-C16:0)  C_p_MAG_T21_45       3

本示例群落模型包含 2,942 个代谢物节点,其中:

科研关注:高连接度代谢物(如community_biomass的degree=106)是代谢网络的枢纽节点,缺失将对群落代谢产生重大影响。ext区室中连接度高的代谢物代表种间交叉喂养的关键代谢物。

4. community_edges.xls

代谢反应边信息表,包含以下列:

列名 描述 示例
source 反应物代谢物ID(MAG后缀标识物种来源) M_10fthf_c_MAG_T21_45
target 产物代谢物ID(MAG后缀标识物种归属) M_fprica_c_MAG_T21_45
reaction 反应ID(MAG后缀标识所属物种) R_AICART_MAG_T21_45
reaction_name 反应名称 Phosphoribosylaminoimidazolecarboxamide formyltransferase
reversible 是否可逆反应 True

示例数据:

                         source                     target                    reaction                           reaction_name  reversible
0  M_10fthf_c_MAG_T21_45  M_fprica_c_MAG_T21_45  R_AICART_MAG_T21_45  ...formyltransferase        True
1  M_10fthf_c_MAG_T21_45     M_thf_c_MAG_T21_45   R_GARFT_MAG_T21_45  ...formyltransferase        True
2  M_10fthf_c_MAG_T21_45    M_fgam_c_MAG_T21_45   R_GARFT_MAG_T21_45  ...formyltransferase        True
3  M_10fthf_c_MAG_T21_45       M_h_c_MAG_T21_45     Growth_MAG_T21_45  Biomass reaction          False
4  M_10fthf_c_MAG_T21_45     M_adp_c_MAG_T21_45     Growth_MAG_T21_45  Biomass reaction          False
5  M_10fthf_c_MAG_T21_45  community_biomass        Growth_MAG_T21_45  Biomass reaction          False
6  M_12dgr140_c_MAG_T21_45  M_adp_c_MAG_T21_45  R_DAGK140_MAG_T21_45  Diacylglyc... (n-C14:0)  False

本示例群落模型包含 13,499 条反应边。其中各MAG的生长反应(Growth_MAG_T21_45和Growth_MAG_T11_53)各对应259条边(连接大量前体代谢物),且均为不可逆反应(reversible=False),产物最终汇入community_biomass。

种间交互识别:在edges.xls中,若某条边的source或target中source和target的MAG后缀不同(或一方在ext区室),则该边可能表示物种间的代谢交互关系(交叉喂养/cross-feeding)。通过ext区室连接的边是分析群落代谢互作的核心线索。

科研论文撰写示例

以下是在科研论文中描述群落基因组尺度代谢模型分析结果的英文示例:

Community-level genome-scale metabolic modeling (Community GEM) was performed using the Wekemo Bioincloud platform (Gao et al., 2024). A community metabolic model was reconstructed by merging individual species-level GEMs using the merge_community command of CarveMe software (version 1.6.5), with the bacteria template.

The resulting community model comprised two MAGs (MAG_T21_45 and MAG_T11_53), containing a total of 2,942 metabolites and 13,499 metabolic reactions distributed across species-specific cellular compartments (cytoplasm C_c, periplasm C_p) and a shared extracellular environment (ext). Among these, 347 metabolites were located in the shared ext compartment, representing potential cross-feeding metabolites involved in interspecies metabolic interactions.

Network analysis identified the total community biomass (community_biomass) as the most highly connected metabolite (degree = 106), serving as the central hub integrating the biomass synthesis reactions from all community members. Each MAG contributed a biomass reaction (Growth_MAG_T21_45 and Growth_MAG_T11_53) connecting 259 upstream metabolic precursors to the community biomass pool.

The complete model files (SBML format), static network visualization (SVG), and detailed metabolite/reaction tables are provided as Supplementary Materials.

参考文献格式:

Gao Y., Zhang G., Jiang S., Liu Y.X. (2024) Wekemo Bioincloud: A user-friendly platform for meta-omics data analyses. iMeta 3: e175. https://doi.org/10.1002/imt2.175