PDBE-3715: Add dynamine to protein pages API

parent 8cf8d4a8
......@@ -2334,7 +2334,7 @@ def get_uniprot_generic_annotations_api(uniprot_accession):
query = """
MATCH (unp:UniProt {ACCESSION:$uniprot_accession})-[:HAS_UNP_RESIDUE]->(unp_res:UNPResidue)<-[:MAP_TO_UNIPROT_RESIDUE]-(pdb_res:PDBResidue)
<-[res_rel:FUNPDBE_ANNOTATION_FOR]-(fun_group:FunPDBeResidueGroup)-[:FUNPDBE_RESIDUE_GROUP_OF]->(fun_entry:FunPDBeEntry), (pdb_res)<-[:HAS_PDB_RESIDUE]-(entity:Entity)
WHERE (NOT fun_entry.DATA_RESOURCE IN ["dynamine", "FoldX", "3Dcomplex","MetalPDB","ChannelsDB","POPScomp_PDBML","Missense3D"]) AND (NOT (fun_entry.DATA_RESOURCE="p2rank" AND res_rel.CONFIDENCE_CLASSIFICATION <> "high" )) AND entity.BEST_CHAIN_ID=res_rel.CHAIN_LABEL
WHERE (NOT fun_entry.DATA_RESOURCE IN ["FoldX", "3Dcomplex","MetalPDB","ChannelsDB","POPScomp_PDBML","Missense3D"]) AND (NOT (fun_entry.DATA_RESOURCE="p2rank" AND res_rel.CONFIDENCE_CLASSIFICATION <> "high" )) AND entity.BEST_CHAIN_ID=res_rel.CHAIN_LABEL
WITH SPLIT(pdb_res.UNIQID, '_')[0] AS entry_id, SPLIT(pdb_res.UNIQID, '_')[1] AS entity_id, res_rel.CHAIN_LABEL AS auth_asym_id, fun_entry.DATA_RESOURCE AS data_resource,
fun_entry.RESOURCE_ENTRY_URL AS resource_url, unp_res.ID AS unp_res_id, unp_res.ONE_LETTER_CODE AS amino_acid_code, pdb_res.ID AS pdb_res_id, fun_group.LABEL AS group_label, res_rel.RAW_SCORE AS raw_score
WITH DISTINCT data_resource, group_label, raw_score, toInteger(unp_res_id) AS unp_res_id, entry_id, toInteger(entity_id) AS entity_id, auth_asym_id, amino_acid_code, resource_url ORDER BY unp_res_id
......@@ -2355,12 +2355,16 @@ def get_uniprot_generic_annotations_api(uniprot_accession):
for annotations_mapping in annotations_mappings:
(data_resource, group_label, raw_score, resource_url, unp_res_id, amino_acid_code, entry_id, entity_id, auth_asym_ids) = annotations_mapping
# PDBE-3714: Set data resource to specific group label in case of depth
if data_resource == "depth":
# PDBE-3714, PDBE-3715: Set data resource to specific group label in case of depth and dynamine
if data_resource in ["depth", "dynamine"]:
# skip structures which are not best
if not (best_entry == entry_id and int(best_entity) == entity_id):
continue
# PDBE-2832 - Skip dynamine sidechain
if data_resource == "dynamine" and group_label == 'sidechain':
continue
data_resource = group_label
......
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