"RCSBProteinDataBank" (服务连接)

连接与认证
请求
BioMolecule 的结构
"BioMolecule" — 从 RCSB Protein Data Bank 获取 BioMolecule 的结构
"PDBStructureID" | None | PDB 结构的 ID | |
"AssemblyNumber" | None | biological assembly of the reference structure |
Data
"EntryData" — 从 RCSB Protein Data Bank 获取结构文件中的相关数据作为 Dataset
"PDBStructureID" | None | PDB 结构的 ID |
"ChemicalComponentData" — 获取 RCSB Protein Data Bank 中的残基的相关信息
"ComponentID" | None | 残基的化学 ID |
PDB ID
"TextSearch" — 通过简单的文本查询从 RCSB PDB 获取相关的 PDB ID
"Query" | None | 搜索查询 | |
"StartIndex" | 1 | 输出结构的起始索引 | |
MaxItems | 10 | 输出结构的总数 |
"SequenceSearch" — 提供 BioSequence,从 RCSB PDB 获取相关的 PDB ID
"BioSequence" | None | 要搜索的序列 | |
"MinimumOverlapFraction" | None | 两个序列之间的最小重叠比例 | |
"StartIndex" | 1 | 输出结构的起始索引 | |
MaxItems | 10 | 输出结构的总数 |
"SimilarStructures" — get the relevant PDB IDs from RCSB PDB through structure search by providing a reference PDB ID or BioMolecule.
"PDBStructureID" | None | PDB ID of the reference structure |
"BioMolecule" | None | reference BioMolecule |
"AssemblyNumber" | 1 | biological assembly of the reference structure |
"ShapeMatchCriteria" | "Strict" | how the shapes should be matched |
"StartIndex" | 1 | starting index of output structures |
MaxItems | 10 | total number of output structures |
"SequenceMotifSearch" — 通过搜索序列基序从 RCSB PDB 获取相关的 PDB ID
"Motif" | None | 要搜索的基序;可以是字符串或 BioSequence 对象 | |
"PatternType" | None | 输入基序的类型 | |
"SequenceType" | None | 序列基序的类型 | |
"StartIndex" | 1 | 输出结构的起始索引 | |
MaxItems | 10 | 输出结构的总数 |
参数的详细信息
"Strict" | strict matching of reference structure | |
"Relaxed" | relaxed matching of reference structure |
"Simple" | 简单表达式 | |
"Regex" | 普通表达式 | |
"Prosite" | Prosite 表达式 |
"Protein" | 蛋白质序列 | |
"DNA" | DNA 序列 | |
"RNA" | RNA 序列 |
"X" | any single letter code of either protein, DNA or RNA | |
"{P}" | any amino acid except "P" ("Pro") | |
"[ST]" | either "S" ("Ser") or "T" ("Thr") | |
"X(2)" | same as "XX" | |
"X(2,4)" | "XX" or "XXX" or "XXXX" | |
"C-{S}-C-X(2)-[LIVMYFWC]" | "Prosite" format example | |
"C{S}CXX[LIVMYFWC]" | "Regex" format example | |
"CXCXXL" | "Simple" format example |
范例
打开所有单元 关闭所有单元基本范例 (2)
通过 ExternalIdentifier 提供 PDB ID,获取 BioMolecule 对象:
可视化 BioMolecule:
Get a specific biological assembly by providing the "AssemblyNumber":
Visualize the BioMolecule:
范围 (6)
用"StartIndex" 和 MaxItems 参数获取特定数量的结构:
"BioSequence" can also be "RNA" or "DNA":
Search for structures that are similar to the input structure. Here, look for structures similar to human KRAS G12C mutant in the RCSB Protein Data Bank by providing the "PDBStructureID". By default, the first element of the output is the input structure:
Visualize the first five structures to see the similarity:
it is also possible to provide the biological assembly number through "Assembly" as shown here. By default, the "AssemblyNumber" is set to 1. Here is an example of searching for structures similar to biological assembly 2 of camel single-domain VH antibody fragment:
You can also search for structures using a "BioMolecule" as input. Here, look for structures in RCSB Protein Data Bank from a structure in the ESM Metagenomic Atlas:
Search for structures that contain a zinc finger sequence motif:
Visualize the structure of the first element of the search, where zinc is in purple:
"Motif" can also accept a BioSequence:
You can also search for "DNA" or "RNA" motifs: