{"id":"573021db-f6a0-576e-b353-457dae5d4db4","stable_key":"00c24cfe-6189-5244-b81f-5d693e4e177d:chlorogenic_acid-human-comt-mg","predicate":"coordinates","statement":"The human COMT structure 3BWM includes bound magnesium alongside SAM and the catechol analog.","claim_class":"mechanistic","status":"source_derived_draft","evidence_grade":"ungraded","direction":"context_dependent","is_public":true,"mechanism_event_id":"918a5037-682b-5e11-a571-46c0d038be9b","mechanism_event_label":"Magnesium is part of the measured enzyme complex; this does not prove that CGA depletes magnesium.","subject":{"id":"936e1fd4-e862-5e32-b7dc-35b946294e43","slug":"comt","display_name":"Human catechol O-methyltransferase / COMT","entity_type_key":"protein"},"object":{"id":"bff427ab-35f9-59c2-bb24-fd5953bbaec2","slug":"magnesium-ion","display_name":"Mg2+","entity_type_key":"ion"},"evidence_count":1,"mechanism_event":{"id":"918a5037-682b-5e11-a571-46c0d038be9b","stable_key":"00c24cfe-6189-5244-b81f-5d693e4e177d:chlorogenic_acid-human-comt-mg-event","event_type":"biochemical_relationship","label":"Magnesium is part of the measured enzyme complex; this does not prove that CGA depletes magnesium.","description":"The human COMT structure 3BWM includes bound magnesium alongside SAM and the catechol analog.","status":"provisional","compartment":null,"participants":[{"entity":{"id":"936e1fd4-e862-5e32-b7dc-35b946294e43","slug":"comt","display_name":"Human catechol O-methyltransferase / COMT","entity_type_key":"protein"},"role":"subject","stoichiometry":null,"state_label":"","sequence_order":0,"notes":""},{"entity":{"id":"bff427ab-35f9-59c2-bb24-fd5953bbaec2","slug":"magnesium-ion","display_name":"Mg2+","entity_type_key":"ion"},"role":"target","stoichiometry":null,"state_label":"","sequence_order":1,"notes":""}]},"contexts":[{"dimension":"evidence_span","value_text":"{\"source_cache\": \"artifacts/chlorogenic_acid-research/3BWM.cif\", \"source_url\": \"https://files.rcsb.org/download/3BWM.cif\", \"locator\": \"Primary deposited structure 3BWM chemical-component loop; zero-based end-exclusive Unicode offsets\", \"file_sha256\": \"debe2736e6c5affecce595281fac469cd424ab6e91a5d908ec89d9460f60e4f6\", \"start_char\": 11428, \"end_char\": 13476, \"text_sha256\": \"98319e36f43f3fe147a2b9a2444809c31b0e14ae68e789fe3c1a8303fd8da8bc\"}","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"experimental_model","value_text":"Human soluble COMT crystallography and deposited structure 3BWM","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"exposure","value_text":"SAM and 3,5-dinitrocatechol-bound crystals; deposited Mg ion","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"limitations","value_text":"Structural cofactor connection, not a CGA-magnesium supplementation trial. Human and rat COMT specificity differs; deposition includes an inhibitor analog rather than CGA.","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"nutrient_topic","value_text":"Chlorogenic acid research collection; topical membership is not evidence of a direct dietary effect.","comparator":null,"unit":null,"notes":"","entity":{"slug":"chlorogenic-acid","display_name":"Chlorogenic acid / 5-O-caffeoylquinic acid","entity_type_key":"small_molecule"}},{"dimension":"organism","value_text":"Homo sapiens","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"plain_language","value_text":"Magnesium is part of the measured enzyme complex; this does not prove that CGA depletes magnesium.","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"primary_references","value_text":"[chlorogenic_acid-p18486144] Crystal structures of human 108V and 108M catechol O-methyltransferase. (2008). https://pubmed.ncbi.nlm.nih.gov/18486144/ DOI: 10.1016/j.jmb.2008.04.040","comparator":null,"unit":null,"notes":"","entity":null},{"dimension":"tissue_or_cell_type","value_text":"Purified soluble COMT","comparator":null,"unit":null,"notes":"","entity":null}],"evidence":[{"id":"dc39ff48-12c5-5718-b3cf-239b4a6a76f3","evidence_kind":"source_excerpt","locator":"Lines 854-865","start_line":854,"end_line":865,"excerpt":"### chlorogenic_acid-human-comt-mg\nThe human COMT structure 3BWM includes bound magnesium alongside SAM and the catechol analog.\nCondition category: normal\nnutrient_topic: Chlorogenic acid research collection; topical membership is not evidence of a direct dietary effect.\nplain_language: Magnesium is part of the measured enzyme complex; this does not prove that CGA depletes magnesium.\norganism: Homo sapiens\ntissue_or_cell_type: Purified soluble COMT\nexperimental_model: Human soluble COMT crystallography and deposited structure 3BWM\nlimitations: Structural cofactor connection, not a CGA-magnesium supplementation trial. Human and rat COMT specificity differs; deposition includes an inhibitor analog rather than CGA.\nexposure: SAM and 3,5-dinitrocatechol-bound crystals; deposited Mg ion\nevidence_span: {\"source_cache\": \"artifacts/chlorogenic_acid-research/3BWM.cif\", \"source_url\": \"https://files.rcsb.org/download/3BWM.cif\", \"locator\": \"Primary deposited structure 3BWM chemical-component loop; zero-based end-exclusive Unicode offsets\", \"file_sha256\": \"debe2736e6c5affecce595281fac469cd424ab6e91a5d908ec89d9460f60e4f6\", \"start_char\": 11428, \"end_char\": 13476, \"text_sha256\": \"98319e36f43f3fe147a2b9a2444809c31b0e14ae68e789fe3c1a8303fd8da8bc\"}\n[chlorogenic_acid-p18486144] Crystal structures of human 108V and 108M catechol O-methyltransferase. (2008). https://pubmed.ncbi.nlm.nih.gov/18486144/ DOI: 10.1016/j.jmb.2008.04.040","model_system":"Human soluble COMT crystallography and deposited structure 3BWM","directness":"author_interpretation","verification_status":"source_derived_draft","notes":"Exact curation-document quotation, not publisher quotation. Study references: [chlorogenic_acid-p18486144] Crystal structures of human 108V and 108M catechol O-methyltransferase. (2008). https://pubmed.ncbi.nlm.nih.gov/18486144/ DOI: 10.1016/j.jmb.2008.04.040","relationship":"supports","weight":1.0,"link_notes":"","source":{"id":"98a7cb8d-1d80-5cfe-9690-4068d21878e3","stable_key":"import-00c24cfe-6189-5244-b81f-5d693e4e177d","title":"Chlorogenic acid: metabolism, signaling and nutrient connections (2026-09-17)","document_type":"imported_text","citation_label":"AI-assisted literature curation; primary study URLs and scope retained in the document and extraction. 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