{"id":"63b099f6-61fe-5151-88db-9b7c09244a1d","stable_key":"00c24cfe-6189-5244-b81f-5d693e4e177d:chlorogenic_acid-ptp1b-site","predicate":"binds_second_aryl_phosphate_site_of","statement":"The observed CGA binding site was the second aryl-phosphate site, rather than the previously docked benzofuran pocket.","claim_class":"mechanistic","status":"source_derived_draft","evidence_grade":"ungraded","direction":"context_dependent","is_public":true,"mechanism_event_id":"6751a3f8-a560-5a35-b9ed-84059a7d8e9e","mechanism_event_label":"Experimental localization refines the earlier prediction; this is not an unresolved biological contradiction.","subject":{"id":"705c7f84-5840-55e1-be69-383cc8793a06","slug":"chlorogenic-acid","display_name":"Chlorogenic acid / 5-O-caffeoylquinic acid","entity_type_key":"small_molecule"},"object":{"id":"98412549-494e-5b03-8161-21d24054d93e","slug":"ptp1b-assay-preparation","display_name":"PTP1B preparation in 2017 inhibition study, species not resolved from abstract","entity_type_key":"protein_family"},"evidence_count":1,"mechanism_event":{"id":"6751a3f8-a560-5a35-b9ed-84059a7d8e9e","stable_key":"00c24cfe-6189-5244-b81f-5d693e4e177d:chlorogenic_acid-ptp1b-site-event","event_type":"biochemical_relationship","label":"Experimental localization refines the earlier prediction; this is not an unresolved biological contradiction.","description":"The observed CGA binding site was the second aryl-phosphate site, rather than the previously docked benzofuran pocket.","status":"provisional","compartment":null,"participants":[{"entity":{"id":"705c7f84-5840-55e1-be69-383cc8793a06","slug":"chlorogenic-acid","display_name":"Chlorogenic acid / 5-O-caffeoylquinic acid","entity_type_key":"small_molecule"},"role":"subject","stoichiometry":null,"state_label":"","sequence_order":0,"notes":""},{"entity":{"id":"98412549-494e-5b03-8161-21d24054d93e","slug":"ptp1b-assay-preparation","display_name":"PTP1B preparation in 2017 inhibition study, species not resolved from abstract","entity_type_key":"protein_family"},"role":"target","stoichiometry":null,"state_label":"","sequence_order":1,"notes":""}]},"contexts":[{"dimension":"evidence_span","value_text":"{\"source_cache\": \"artifacts/chlorogenic_acid-research/27959494.abstract.txt\", \"locator\": \"Primary indexed abstract; zero-based, end-exclusive Unicode character offsets\", \"file_sha256\": \"4f4610d35c42975e3cc1026d2daa4014952bc442a58e711b430db873d22a7475\", \"start_char\": 0, \"end_char\": 1044, \"text_sha256\": \"4f4610d35c42975e3cc1026d2daa4014952bc442a58e711b430db873d22a7475\"}","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"experimental_model","value_text":"Steady-state kinetics, solution NMR and molecular dynamics","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"exposure","value_text":"CGA compared with cichoric acid; quantitative assay regimen not given in abstract","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"limitations","value_text":"Do not merge species-unresolved preparation with human or rodent PTPN1. 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(2017). https://pubmed.ncbi.nlm.nih.gov/27959494/ DOI: 10.1021/acs.biochem.6b01025","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"tissue_or_cell_type","value_text":"Enzyme inhibition and binding-site analysis","comparator":null,"unit":null,"notes":"","entity":null}],"evidence":[{"id":"2401b513-80f5-5903-abea-280fb11583b1","evidence_kind":"source_excerpt","locator":"Lines 529-540","start_line":529,"end_line":540,"excerpt":"### chlorogenic_acid-ptp1b-site\nThe observed CGA binding site was the second aryl-phosphate site, rather than the previously docked benzofuran pocket.\nCondition category: normal\nnutrient_topic: Chlorogenic acid research collection; topical membership is not evidence of a direct dietary effect.\nplain_language: Experimental localization refines the earlier prediction; this is not an unresolved biological contradiction.\norganism: Purified PTP1B preparation; species not specified in indexed abstract\ntissue_or_cell_type: Enzyme inhibition and binding-site analysis\nexperimental_model: Steady-state kinetics, solution NMR and molecular dynamics\nlimitations: Do not merge species-unresolved preparation with human or rodent PTPN1. An enzyme assay does not establish clinical insulin sensitization; simulated hydrogen-bond changes are a proposed mechanism.\nexposure: CGA compared with cichoric acid; quantitative assay regimen not given in abstract\nevidence_span: {\"source_cache\": \"artifacts/chlorogenic_acid-research/27959494.abstract.txt\", \"locator\": \"Primary indexed abstract; zero-based, end-exclusive Unicode character offsets\", \"file_sha256\": \"4f4610d35c42975e3cc1026d2daa4014952bc442a58e711b430db873d22a7475\", \"start_char\": 0, \"end_char\": 1044, \"text_sha256\": \"4f4610d35c42975e3cc1026d2daa4014952bc442a58e711b430db873d22a7475\"}\n[chlorogenic_acid-p27959494] Characterization of Protein Tyrosine Phosphatase 1B Inhibition by Chlorogenic Acid and Cichoric Acid. 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