tooluniverse-gpcr-structural-pharmacology

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Chinese

GPCR and Structural Pharmacology Research

GPCR与结构药理学研究

GPCR pharmacology: agonist vs antagonist vs inverse agonist vs biased agonist — each has different clinical implications. Biased agonism (preferential G-protein vs β-arrestin signaling) can separate efficacy from side effects; for example, G-protein-biased opioid agonists aim to retain analgesia while reducing β-arrestin-mediated respiratory depression. Always classify retrieved ligands by their pharmacological type, not just their chemical structure. Receptor state (active vs inactive crystal structure) determines which ligands and mutations are interpretable — an inactive-state structure is appropriate for antagonist binding analysis, active-state for agonist-bound complexes. Generic GPCR numbering (Ballesteros-Weinstein) enables cross-receptor mutation comparison; always report positions in this system alongside sequence positions.

LOOK UP DON'T GUESS: never assume GPCRdb entry names (e.g.,

adrb2_human

) or PDB IDs — always use

GPCRdb_list_proteins

to find the correct entry name and

GPCRdb_get_structures

to confirm available structures.

Research skill integrating GPCRdb (GPCR receptor biology), SAbDab (antibody structures), and PDBePISA (protein interface analysis) to support structural pharmacology, antibody engineering, and GPCR-targeted drug discovery.

KEY PRINCIPLES:

Receptor-first — Identify GPCR entry name before any GPCRdb queries
Ligand classification — Distinguish agonists, antagonists, partial agonists, biased agonists
Structure-guided — Pair GPCRdb mutation data with PDB structures via PDBePISA
Antibody context — Use SAbDab for therapeutic antibody structure retrieval and CDR analysis
English-first queries — Use standard receptor names (e.g., "beta-2 adrenergic receptor") in searches; convert to GPCRdb entry names for API calls

GPCR药理学：激动剂、拮抗剂、反向激动剂与偏向性激动剂——每种类型都有不同的临床意义。偏向性激动（优先激活G蛋白而非β-抑制蛋白信号通路）可将疗效与副作用分离；例如，偏向G蛋白的阿片类激动剂旨在保留镇痛效果的同时，减少β-抑制蛋白介导的呼吸抑制。始终根据药理学类型对检索到的配体进行分类，而非仅依据化学结构。受体状态（活性/非活性晶体结构）决定了哪些配体和突变可被解读——非活性状态结构适用于拮抗剂结合分析，活性状态结构适用于激动剂结合复合物分析。通用GPCR编号（Ballesteros-Weinstein）支持跨受体突变比较；报告时需同时提供该系统编号与序列位置。

查询而非猜测：切勿假设GPCRdb条目名称（如

adrb2_human

）或PDB ID——务必使用

GPCRdb_list_proteins

查找正确的条目名称，使用

GPCRdb_get_structures

确认可用结构。

本研究技能整合了GPCRdb（GPCR受体生物学）、SAbDab（抗体结构）和PDBePISA（蛋白质界面分析），为结构药理学、抗体工程和GPCR靶向药物研发提供支持。

核心原则:

受体优先 — 在进行任何GPCRdb查询前，先确定GPCR条目名称
配体分类 — 区分激动剂、拮抗剂、部分激动剂、偏向性激动剂
结构导向 — 通过PDBePISA将GPCRdb突变数据与PDB结构关联
抗体背景 — 使用SAbDab检索治疗性抗体结构并进行CDR分析
英文优先查询 — 搜索时使用标准受体名称（如"beta-2 adrenergic receptor"）；调用API时转换为GPCRdb条目名称

When to Use

使用场景

Apply when user asks:

"What ligands are known for [GPCR receptor]?"
"What crystal structures exist for [receptor]?"
"Find antibody structures targeting [antigen]"
"Analyze the protein-protein interface in PDB [ID]"
"What mutations affect [GPCR] function or pharmacology?"
"Which GPCRs are in the [family] family?"
"What are the CDR loops in antibody PDB [ID]?"
"What is the biological assembly for [PDB ID]?"

当用户提出以下问题时适用：

"[某GPCR受体]有哪些已知配体？"
"[某受体]存在哪些晶体结构？"
"查找靶向[某抗原]的抗体结构"
"分析PDB [ID]中的蛋白质-蛋白质界面"
"哪些突变会影响[某GPCR]的功能或药理学特性？"
"[某家族]家族包含哪些GPCR？"
"抗体PDB [ID]中的CDR环是什么？"
"[某PDB ID]的生物组装体是什么？"

Tool Parameter Reference (CRITICAL)

工具参数参考（关键）

Tool	Key Parameters	Notes
`GPCRdb_get_protein`	`protein`	GPCRdb entry name (e.g., `adrb2_human` ), NOT gene symbol or UniProt accession
`GPCRdb_list_proteins`	`family` (optional), `protein_class` (optional)	Lists all GPCRs; filter by family slug (e.g., `"adrenoceptors"` ) OR by human-readable class name via `protein_class` (e.g., `"chemokine receptors"` , `"opioid receptors"` )
`GPCRdb_get_structures`	`protein` (optional), `state` (optional)	`state` : `"active"` , `"inactive"` , `"intermediate"`
`GPCRdb_get_ligands`	`protein`	Returns agonists, antagonists, biased ligands with affinities
`GPCRdb_get_mutations`	`protein`	Returns mutation effects on receptor function and ligand binding
`SAbDab_search_structures`	`query`	Antigen name, species, or keywords; returns browse URL + metadata
`SAbDab_get_structure`	`pdb_id`	4-character PDB code (e.g., `"6W41"` ); returns CDR annotations
`SAbDab_get_summary`	(no required params)	Database statistics and summary
`PDBePISA_get_interfaces`	`pdb_id`	4-character PDB code; returns all interface pairs with buried area
`PDBePISA_get_assemblies`	`pdb_id`	Predicted biological assemblies from crystal packing
`PDBePISA_get_monomer_analysis`	`pdb_id`	Per-chain solvent-accessible surface area (SASA) breakdown

工具	核心参数	说明
`GPCRdb_get_protein`	`protein`	GPCRdb条目名称（如 `adrb2_human` ），而非基因符号或UniProt登录号
`GPCRdb_list_proteins`	`family` （可选）, `protein_class` （可选）	列出所有GPCR；可通过家族短代码（如 `"adrenoceptors"` ）或 `protein_class` 参数的可读类名（如 `"chemokine receptors"` 、 `"opioid receptors"` ）过滤
`GPCRdb_get_structures`	`protein` （可选）, `state` （可选）	`state` 可选值： `"active"` 、 `"inactive"` 、 `"intermediate"`
`GPCRdb_get_ligands`	`protein`	返回激动剂、拮抗剂、偏向性配体及其亲和力数据
`GPCRdb_get_mutations`	`protein`	返回突变对受体功能和配体结合的影响
`SAbDab_search_structures`	`query`	抗原名称、物种或关键词；返回浏览URL及元数据
`SAbDab_get_structure`	`pdb_id`	4字符PDB编码（如 `"6W41"` ）；返回CDR注释
`SAbDab_get_summary`	无必填参数	返回数据库统计信息和概述
`PDBePISA_get_interfaces`	`pdb_id`	4字符PDB编码；返回所有界面对及掩埋面积
`PDBePISA_get_assemblies`	`pdb_id`	根据晶体堆积预测生物组装体
`PDBePISA_get_monomer_analysis`	`pdb_id`	按链分解溶剂可及表面积（SASA）

GPCRdb Entry Name Format

GPCRdb条目名称格式

GPCRdb uses its own entry name format:

{receptor_slug}_{species}

. Common examples:

Beta-2 adrenergic receptor:
```
adrb2_human
```
Beta-1 adrenergic receptor:
```
adrb1_human
```
Mu-opioid receptor:
```
oprm1_human
```
Dopamine D2 receptor:
```
drd2_human
```
Glucagon-like peptide-1 receptor:
```
glp1r_human
```
CXCR4 chemokine receptor:
```
cxcr4_human
```

If entry name is unknown, use

GPCRdb_list_proteins()

to browse and find the correct slug. You can also filter by receptor class using the

protein_class

parameter with a human-readable name — e.g.,

GPCRdb_list_proteins(protein_class="chemokine receptors")

— instead of the numeric family slug. Both

family

and

protein_class

are accepted and serve overlapping purposes; prefer

protein_class

when the user provides a receptor class name.

GPCRdb采用自有条目名称格式：

{receptor_slug}_{species}

。常见示例：

β2肾上腺素能受体：
```
adrb2_human
```
β1肾上腺素能受体：
```
adrb1_human
```
μ阿片受体：
```
oprm1_human
```
-多巴胺D2受体：
```
drd2_human
```
-胰高血糖素样肽-1受体：
```
glp1r_human
```
CXCR4趋化因子受体：
```
cxcr4_human
```

若未知条目名称，使用

GPCRdb_list_proteins()

浏览查找正确的短代码。也可通过

protein_class

参数使用可读类名过滤受体类别——例如

GPCRdb_list_proteins(protein_class="chemokine receptors")

——而非数字家族短代码。

family

和

protein_class

均被支持且功能重叠；当用户提供受体类名时，优先使用

protein_class

。

Workflow Overview

工作流程概述

Phase 1: Receptor Identification (for GPCR queries)
  -> GPCRdb_list_proteins: find receptor family and entry name
  -> GPCRdb_get_protein: receptor details, family, species

Phase 2: Ligand Landscape
  -> GPCRdb_get_ligands: all known ligands by pharmacology class
  -> Cross-reference with ChEMBL/PubChem for chemical properties

Phase 3: Structural Data
  -> GPCRdb_get_structures: available PDB/EMDB structures with resolution
  -> PDBePISA_get_interfaces: interface analysis on best structure
  -> PDBePISA_get_assemblies: biological assembly determination

Phase 4: Mutation & Pharmacology Data
  -> GPCRdb_get_mutations: pharmacological mutation map
  -> Compare to ligand binding sites from structure

Phase 5: Antibody Structures (for antibody queries)
  -> SAbDab_search_structures: find structures by antigen
  -> SAbDab_get_structure: CDR annotations, chain details
  -> PDBePISA_get_interfaces: antibody-antigen interface analysis

Phase 1: Receptor Identification (for GPCR queries)
  -> GPCRdb_list_proteins: find receptor family and entry name
  -> GPCRdb_get_protein: receptor details, family, species

Phase 2: Ligand Landscape
  -> GPCRdb_get_ligands: all known ligands by pharmacology class
  -> Cross-reference with ChEMBL/PubChem for chemical properties

Phase 3: Structural Data
  -> GPCRdb_get_structures: available PDB/EMDB structures with resolution
  -> PDBePISA_get_interfaces: interface analysis on best structure
  -> PDBePISA_get_assemblies: biological assembly determination

Phase 4: Mutation & Pharmacology Data
  -> GPCRdb_get_mutations: pharmacological mutation map
  -> Compare to ligand binding sites from structure

Phase 5: Antibody Structures (for antibody queries)
  -> SAbDab_search_structures: find structures by antigen
  -> SAbDab_get_structure: CDR annotations, chain details
  -> PDBePISA_get_interfaces: antibody-antigen interface analysis

Phase 1: GPCR Receptor Identification

Phase 1: GPCR受体识别

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List all GPCRs in a family to find entry name (by slug)

列出某家族内所有GPCR以查找条目名称（通过短代码）

family_list = GPCRdb_list_proteins(family="adrenoceptors")

Filter by human-readable class name (new -- preferred when user says e.g. "chemokine receptors")

通过可读类名过滤（新增——当用户提及如"chemokine receptors"时优先使用）

chemokine_list = GPCRdb_list_proteins(protein_class="chemokine receptors")

Browse all GPCRs (no family filter)

浏览所有GPCR（无家族过滤）

all_gpcrs = GPCRdb_list_proteins()

Get detailed protein info once you have the entry name

获取条目名称后，查询详细蛋白质信息

receptor = GPCRdb_get_protein(protein="adrb2_human")

Returns: family classification, endogenous ligands, tissue expression,

返回：家族分类、内源性配体、组织表达、

GPCRdb-specific annotations, sequence features

GPCRdb专属注释、序列特征

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Phase 2: Ligand Landscape

Phase 2: 配体全景

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Get all known ligands for a GPCR

获取某GPCR的所有已知配体

ligands = GPCRdb_get_ligands(protein="adrb2_human")

Returns: ligand names, types (agonist/antagonist/partial/biased/allosteric),

返回：配体名称、类型（激动剂/拮抗剂/部分激动剂/偏向性/变构）、

binding affinities (Ki, IC50, EC50), references

结合亲和力（Ki、IC50、EC50）、参考文献

Ligand type classification:

配体类型分类:

- Agonist: activates receptor

- 激动剂：激活受体

- Antagonist/Inverse agonist: blocks or suppresses receptor

- 拮抗剂/反向激动剂：阻断或抑制受体

- Partial agonist: submaximal activation

- 部分激动剂：亚最大激活

- Biased agonist: selective signaling (Gs vs. beta-arrestin bias)

- 偏向性激动剂：选择性信号传导（Gs vs. β-抑制蛋白偏向）

- Positive/Negative allosteric modulator (PAM/NAM)

- 正向/负向变构调节剂（PAM/NAM）


After retrieving ligands from GPCRdb, optionally cross-reference with:
- `PubChem_get_CID_by_compound_name(compound_name=ligand_name)` — get CID, SMILES
- `ChEMBL_search_molecules(query=ligand_name)` — get ChEMBL ID, bioactivity data


从GPCRdb检索配体后，可选择性交叉参考以下工具：
- `PubChem_get_CID_by_compound_name(compound_name=ligand_name)` — 获取CID、SMILES
- `ChEMBL_search_molecules(query=ligand_name)` — 获取ChEMBL ID、生物活性数据

Phase 3: Structural Data

Phase 3: 结构数据

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Get available crystal/cryo-EM structures

获取可用晶体/冷冻电镜结构

structures = GPCRdb_get_structures(protein="adrb2_human", state="inactive")

state options: "active", "inactive", "intermediate" (omit for all)

state可选值："active"、"inactive"、"intermediate"（省略则返回全部）

Returns: PDB IDs, resolution, ligand in structure, publication info

返回：PDB ID、分辨率、结构中的配体、发表信息

Analyze a specific structure's interfaces

分析特定结构的界面

interfaces = PDBePISA_get_interfaces(pdb_id="2rh1") # adrb2 inactive structure

interfaces = PDBePISA_get_interfaces(pdb_id="2rh1") # adrb2非活性结构

Returns: interface pairs, buried solvent-accessible area (BSA),

返回：界面对、掩埋溶剂可及面积（BSA）、

interface residues, hydrogen bonds, salt bridges

界面残基、氢键、盐桥

Determine biological assembly

确定生物组装体

assemblies = PDBePISA_get_assemblies(pdb_id="2rh1")

Returns: predicted oligomeric state, assembly stability score,

返回：预测的寡聚状态、组装体稳定性评分、

subunit composition

亚基组成

Per-chain SASA breakdown

按链分解SASA

monomers = PDBePISA_get_monomer_analysis(pdb_id="2rh1")

Returns: accessible/buried surface area per chain

返回：每条链的可及/掩埋表面积


**Interface Analysis Interpretation**:
- BSA > 1500 Å²: Strong interface (likely biologically relevant)
- BSA 800-1500 Å²: Moderate interface
- BSA < 800 Å²: Weak or crystal contact


**界面分析解读**:
- BSA > 1500 Å²：强界面（可能具有生物学相关性）
- BSA 800-1500 Å²：中等界面
- BSA < 800 Å²：弱界面或晶体接触

Phase 4: Mutation Data

Phase 4: 突变数据

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Get all mutations characterized for a GPCR

获取某GPCR的所有已表征突变

mutations = GPCRdb_get_mutations(protein="adrb2_human")

Returns: mutation positions (generic GPCR numbering), effects on:

返回：突变位置（通用GPCR编号）、对以下方面的影响：

- Expression/folding

- 表达/折叠

- Ligand binding (affinity changes)

- 配体结合（亲和力变化）

- G-protein coupling

- G蛋白偶联

- Receptor activation

- 受体激活

Generic GPCR numbering (Ballesteros-Weinstein):

通用GPCR编号（Ballesteros-Weinstein）:

e.g., 3.32 = position 32 in TM helix 3 — conserved across GPCR classes

例如，3.32 = 跨膜螺旋3的第32位——在GPCR类别中保守

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Phase 5: Antibody Structure Retrieval

Phase 5: 抗体结构检索

python

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Search SAbDab for antibody structures by antigen

通过抗原在SAbDab中搜索抗体结构

results = SAbDab_search_structures(query="EGFR", limit=20)

Returns: browse URL + metadata table of matching structures

返回：浏览URL及匹配结构的元数据表

Get detailed annotations for a specific antibody structure

获取特定抗体结构的详细注释

structure = SAbDab_get_structure(pdb_id="1IQD")

Returns: VH/VL chain IDs, CDR1-3 (Kabat/IMGT), antigen info,

返回：VH/VL链ID、CDR1-3（Kabat/IMGT）、抗原信息、

heavy/light chain types, resolution

重链/轻链类型、分辨率

Get database overview

获取数据库概述

summary = SAbDab_get_summary()

Returns: total structures, species breakdown, antigen coverage stats

返回：总结构数、物种分布、抗原覆盖统计


**CDR Analysis**:
- CDR-H3 is most variable and typically dominates antigen contact
- CDR length distribution: SAbDab provides Kabat, Chothia, and IMGT numbering
- After retrieving SAbDab structure, use `PDBePISA_get_interfaces(pdb_id=...)` to compute antibody-antigen buried surface area

---


**CDR分析**:
- CDR-H3变异性最高，通常主导抗原接触
- CDR长度分布：SAbDab提供Kabat、Chothia和IMGT编号
- 检索SAbDab结构后，使用`PDBePISA_get_interfaces(pdb_id=...)`计算抗体-抗原掩埋表面积

---

Common Research Patterns

常见研究模式

Pattern 1: GPCR Drug Target Profiling

模式1：GPCR药物靶点分析

Input: GPCR name (e.g., "GLP-1 receptor")
Flow: GPCRdb_list_proteins -> find "glp1r_human" ->
      GPCRdb_get_protein (receptor details) ->
      GPCRdb_get_ligands (approved + investigational drugs) ->
      GPCRdb_get_structures (available PDB structures) ->
      PDBePISA_get_interfaces on best structure ->
      GPCRdb_get_mutations (pharmacological mutants)
Output: Complete GPCR pharmacology profile with structural context

输入：GPCR名称（如"GLP-1 receptor"）
流程：GPCRdb_list_proteins -> 找到"glp1r_human" ->
      GPCRdb_get_protein（受体详情）->
      GPCRdb_get_ligands（已获批+在研药物）->
      GPCRdb_get_structures（可用PDB结构）->
      对最优结构执行PDBePISA_get_interfaces ->
      GPCRdb_get_mutations（药理学突变）
输出：带结构背景的完整GPCR药理学分析报告

Pattern 2: Antibody-Antigen Interface Analysis

模式2：抗体-抗原界面分析

Input: Target antigen (e.g., "PD-L1") or specific PDB code
Flow: SAbDab_search_structures(query="PD-L1") ->
      SAbDab_get_structure(pdb_id="best hit") (CDR annotations) ->
      PDBePISA_get_interfaces(pdb_id=...) (buried area, key contacts) ->
      PDBePISA_get_assemblies (assembly context)
Output: CDR sequences, epitope contact residues, interface energetics

输入：目标抗原（如"PD-L1"）或特定PDB编码
流程：SAbDab_search_structures(query="PD-L1") ->
      SAbDab_get_structure(pdb_id="最优结果")（CDR注释）->
      PDBePISA_get_interfaces(pdb_id=...)（掩埋面积、关键接触）->
      PDBePISA_get_assemblies（组装背景）
输出：CDR序列、表位接触残基、界面能量学数据

Pattern 3: GPCR Family Survey

模式3：GPCR家族调研

Input: Drug class question (e.g., "beta-adrenergic receptors")
Flow: GPCRdb_list_proteins(family="adrenoceptors") ->
      GPCRdb_get_protein per receptor (adrb1/2/3) ->
      GPCRdb_get_ligands per receptor (selectivity landscape) ->
      GPCRdb_get_structures per receptor (structural coverage)
Output: Family-wide selectivity map, structural availability, ligand classes

输入：药物类别问题（如"beta-adrenergic receptors"）
流程：GPCRdb_list_proteins(family="adrenoceptors") ->
      对每个受体执行GPCRdb_get_protein（adrb1/2/3）->
      对每个受体执行GPCRdb_get_ligands（选择性全景）->
      对每个受体执行GPCRdb_get_structures（结构覆盖）
输出：家族范围选择性图谱、结构可用性、配体类别

Pattern 4: Structure Interface Characterization

模式4：结构界面表征

Input: PDB code
Flow: PDBePISA_get_assemblies (oligomeric state) ->
      PDBePISA_get_interfaces (all interface pairs ranked by BSA) ->
      PDBePISA_get_monomer_analysis (per-chain surface burial)
Output: Biologically relevant assembly, key interface residues, buried areas

输入：PDB编码
流程：PDBePISA_get_assemblies（寡聚状态）->
      PDBePISA_get_interfaces（按BSA排序的所有界面对）->
      PDBePISA_get_monomer_analysis（按链表面掩埋）
输出：具有生物学相关性的组装体、关键界面残基、掩埋面积

Tool Combinations with Other Skills

与其他技能的工具组合

This skill complements other ToolUniverse skills:

Goal	This skill provides	Complement with
GPCR drug discovery	Receptor/ligand/structure data	`tooluniverse-binder-discovery` for virtual screening
Antibody engineering	SAbDab structure + CDR data	`tooluniverse-antibody-engineering` for optimization
Variant impact on GPCR	GPCRdb mutation effects	`tooluniverse-variant-functional-annotation` for ACMG
Target validation	GPCR expression, ligand data	`tooluniverse-drug-target-validation`
PDB structure analysis	PDBePISA interfaces	`tooluniverse-protein-structure-retrieval` for RCSB/PDBe

本技能可与ToolUniverse的其他技能互补：

目标	本技能提供	互补技能
GPCR药物研发	受体/配体/结构数据	`tooluniverse-binder-discovery` 用于虚拟筛选
抗体工程	SAbDab结构+CDR数据	`tooluniverse-antibody-engineering` 用于优化
变异对GPCR的影响	GPCRdb突变效应	`tooluniverse-variant-functional-annotation` 用于ACMG注释
靶点验证	GPCR表达、配体数据	`tooluniverse-drug-target-validation`
PDB结构分析	PDBePISA界面数据	`tooluniverse-protein-structure-retrieval` 用于RCSB/PDBe检索

Fallback Chains

备选流程

Primary Tool	Fallback	Use When
`GPCRdb_get_protein`	UniProt search + PubMed	Entry name unknown or non-GPCR target
`GPCRdb_get_ligands`	ChEMBL bioactivity search	Receptor not in GPCRdb
`GPCRdb_get_structures`	RCSB PDB text search	Structures not yet in GPCRdb
`SAbDab_search_structures`	RCSB PDB antibody search	Antigen not indexed in SAbDab
`PDBePISA_get_interfaces`	PDBe graph API	PDBePISA returns no interfaces

主工具	备选工具	使用场景
`GPCRdb_get_protein`	UniProt搜索+PubMed	条目名称未知或非GPCR靶点
`GPCRdb_get_ligands`	ChEMBL生物活性搜索	受体未收录于GPCRdb
`GPCRdb_get_structures`	RCSB PDB文本搜索	结构尚未收录于GPCRdb
`SAbDab_search_structures`	RCSB PDB抗体搜索	抗原未在SAbDab中索引
`PDBePISA_get_interfaces`	PDBe图形API	PDBePISA未返回界面数据

Completeness Checklist

完整性检查清单

For GPCR profiling:

Entry name resolved via
```
GPCRdb_list_proteins
```
or
```
GPCRdb_get_protein
```
Receptor family and class documented
Ligand landscape retrieved with pharmacology types
Available structures listed with resolution and state
Best structure analyzed with PDBePISA (interfaces + assembly)
Mutation data retrieved for pharmacological context

For antibody structure:

SAbDab search run with antigen name
Best structure retrieved with
```
SAbDab_get_structure
```
CDR1-3 sequences extracted for VH and VL chains
Antibody-antigen interface analyzed with PDBePISA
Buried surface area and key contact residues documented

GPCR分析：

通过
```
GPCRdb_list_proteins
```
或
```
GPCRdb_get_protein
```
确定条目名称
记录受体家族和类别
检索配体全景并标注药理学类型
列出可用结构及分辨率和状态
使用PDBePISA分析最优结构（界面+组装体）
检索突变数据以提供药理学背景

抗体结构分析：

使用抗原名称执行SAbDab搜索
通过
```
SAbDab_get_structure
```
获取最优结构
提取VH和VL链的CDR1-3序列
使用PDBePISA分析抗体-抗原界面
记录掩埋表面积和关键接触残基

Key References

核心参考文献

GPCRdb: https://gpcrdb.org — standardized GPCR data with generic numbering
SAbDab: https://opig.stats.ox.ac.uk/webapps/newsabdab/sabdab — structural antibody database
PDBePISA: https://www.ebi.ac.uk/pdbe/pisa — protein interface analysis

GPCRdb: https://gpcrdb.org — 标准化GPCR数据，含通用编号
SAbDab: https://opig.stats.ox.ac.uk/webapps/newsabdab/sabdab — 抗体结构数据库
PDBePISA: https://www.ebi.ac.uk/pdbe/pisa — 蛋白质界面分析工具