{"id":"e6e48298-0548-59f9-86b7-3928d7fc950f","stable_key":"2921131d-0ba0-51d3-8f59-8c4be3b9ac08:cucurbitacin-i-docking","predicate":"has_proposed_binding_contacts_on","statement":"Docking and molecular dynamics proposed cucurbitacin I contacts involving actin residues I136, I175, D154 and A138.","claim_class":"hypothesis_link","status":"source_derived_draft","evidence_grade":"ungraded","direction":"context_dependent","is_public":true,"mechanism_event_id":"445b0ed3-4460-5ab1-8ec8-e5e1a33a74a6","mechanism_event_label":"The proposed contact map is a prediction.","subject":{"id":"55ef0ba6-495d-5cc4-88c5-0772ab25d0fe","slug":"cucurbitacin-i","display_name":"Cucurbitacin I","entity_type_key":"small_molecule"},"object":{"id":"7633cd49-57aa-5817-b6e9-f26a4334ca42","slug":"purified-cucurbitacin-g-actin","display_name":"Purified G-actin in cucurbitacin assays, species as reported","entity_type_key":"cellular_process"},"evidence_count":1,"mechanism_event":{"id":"445b0ed3-4460-5ab1-8ec8-e5e1a33a74a6","stable_key":"2921131d-0ba0-51d3-8f59-8c4be3b9ac08:cucurbitacin-i-docking-event","event_type":"observed_relationship","label":"The proposed contact map is a prediction.","description":"Docking and molecular dynamics proposed cucurbitacin I contacts involving actin residues I136, I175, D154 and A138.","status":"provisional","compartment":null,"participants":[{"entity":{"id":"55ef0ba6-495d-5cc4-88c5-0772ab25d0fe","slug":"cucurbitacin-i","display_name":"Cucurbitacin I","entity_type_key":"small_molecule"},"role":"subject","stoichiometry":null,"state_label":"","sequence_order":0,"notes":""},{"entity":{"id":"7633cd49-57aa-5817-b6e9-f26a4334ca42","slug":"purified-cucurbitacin-g-actin","display_name":"Purified G-actin in cucurbitacin assays, species as reported","entity_type_key":"cellular_process"},"role":"target","stoichiometry":null,"state_label":"","sequence_order":1,"notes":""}]},"contexts":[{"dimension":"evidence_access","value_text":"Primary abstract","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"experimental_model","value_text":"Computational structural modeling in the 2024 actin paper.","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"limitations","value_text":"No ligand-bound experimental structure or covalent mapping was established by this computation.","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"nutrient_topic","value_text":"Cucurbitacins collection; species, compartment, exposure, co-substrates and manipulation remain explicit.","comparator":null,"unit":null,"notes":"","entity":{"slug":"cucurbitacin","display_name":"Cucurbitacins","entity_type_key":"chemical_species"}},{"dimension":"plain_language","value_text":"The proposed contact map is a prediction.","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"primary_references","value_text":"Depolymerization of actin filaments by Cucurbitacin I through binding G-actin. · 2024 · https://pubmed.ncbi.nlm.nih.gov/38370084/ · DOI 10.1002/fsn3.3804","comparator":null,"unit":null,"notes":"","entity":null}],"evidence":[{"id":"7eda765f-ba6b-5039-b0f2-468d5c9d475c","evidence_kind":"source_excerpt","locator":"Lines 100-106","start_line":100,"end_line":106,"excerpt":"## cucurbitacin-i-docking\nThe proposed contact map is a prediction.\nDocking and molecular dynamics proposed cucurbitacin I contacts involving actin residues I136, I175, D154 and A138.\nModel: Computational structural modeling in the 2024 actin paper.\nLimitations: No ligand-bound experimental structure or covalent mapping was established by this computation.\nEvidence access: Primary abstract\nDepolymerization of actin filaments by Cucurbitacin I through binding G-actin. · 2024 · https://pubmed.ncbi.nlm.nih.gov/38370084/ · DOI 10.1002/fsn3.3804","model_system":"Computational structural modeling in the 2024 actin paper.","directness":"reported_statement","verification_status":"source_derived_draft","notes":"Original curation paraphrase; evidence access and experimental limitations specified.","relationship":"supports","weight":1.0,"link_notes":"","source":{"id":"77324310-00ce-5d28-9fc7-595fddae86b9","stable_key":"import-2921131d-0ba0-51d3-8f59-8c4be3b9ac08","title":"Cucurbitacins: thiol chemistry, cytoskeleton, metabolic dependencies and signaling (2026-09-20)","document_type":"imported_text","citation_label":"AI-assisted research curation; primary references, access levels and experimental limitations individually identified. Not publisher full text.","file_path":"","sha256":"5c23ec61b9cf3d2966fb081d8617e1e1f7c522e86419b8ba2dcae09590121123","revision_id":"74251a06-3ba5-506c-b428-700eca0fb432","review_status":"unverified_draft","notes":""}}],"relations":[],"conflicts":[],"corrections":[],"research":null}