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uniprot

PdbResult dataclass

Result of a PDB search in UniProtKB.

Parameters:

Name Type Description Default
id str

PDB ID (e.g., "1H3O").

required
method str

Method used for the PDB entry (e.g., "X-ray diffraction").

required
uniprot_chains str

Chains in UniProt format (e.g., "A/B=1-42,A/B=50-99").

required
resolution str | None

Resolution of the PDB entry (e.g., "2.0" for 2.0 Å). Optional.

None

Query dataclass

Search query for UniProtKB.

Parameters:

Name Type Description Default
taxon_id str | None

Taxon ID to filter results by organism (e.g., "9606" for human).

required
reviewed bool | None

Whether to filter results by reviewed status (True for reviewed, False for unreviewed).

required
subcellular_location_uniprot str | None

Subcellular location in UniProt format (e.g., "nucleus").

required
subcellular_location_go str | None

Subcellular location in GO format (e.g., "GO:0005634" for nucleus).

required
molecular_function_go str | None

Molecular function in GO format (e.g., "GO:0003674" for molecular_function).

required

search4af(uniprot_accs, limit=10000, timeout=1800)

Search for AlphaFold entries in UniProtKB accessions.

Parameters:

Name Type Description Default
uniprot_accs Iterable[str]

UniProt accessions.

required
limit int

Maximum number of results to return.

10000
timeout int

Timeout for the SPARQL query in seconds.

1800

Returns:

Type Description
dict[str, set[str]]

Dictionary with protein IDs as keys and sets of AlphaFold IDs as values.

search4emdb(uniprot_accs, limit=10000, timeout=1800)

Search for EMDB entries in UniProtKB accessions.

Parameters:

Name Type Description Default
uniprot_accs Iterable[str]

UniProt accessions.

required
limit int

Maximum number of results to return.

10000
timeout int

Timeout for the SPARQL query in seconds.

1800

Returns:

Type Description
dict[str, set[str]]

Dictionary with protein IDs as keys and sets of EMDB IDs as values.

search4pdb(uniprot_accs, limit=10000, timeout=1800)

Search for PDB entries in UniProtKB accessions.

Parameters:

Name Type Description Default
uniprot_accs Iterable[str]

UniProt accessions.

required
limit int

Maximum number of results to return.

10000
timeout int

Timeout for the SPARQL query in seconds.

1800

Returns:

Type Description
dict[str, set[PdbResult]]

Dictionary with protein IDs as keys and sets of PDB results as values.

search4uniprot(query, limit=10000, timeout=1800)

Search for UniProtKB entries based on the given query.

Parameters:

Name Type Description Default
query Query

Query object containing search parameters.

required
limit int

Maximum number of results to return.

10000
timeout int

Timeout for the SPARQL query in seconds.

1800

Returns:

Type Description
set[str]

Set of uniprot accessions.