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"ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:V:SO4:2206:.:SITE:UP:P55201:PWWP1:E", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:W:SO4:2204:.:SITE:UP:P55201:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:W:SO4:2204:.", "observed_other_component": true, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:W:SO4:2204:.:SITE:UP:P55201:PWWP1:G", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3LLR:LIG:H:SO4:155:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "a8254ced10f69b3b39f750fa8cd9287339657ffd15b2b87702acc775b16fc7ed", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3LLR:LIG:H:SO4:155:.", "observed_other_component": true, "pdb_id": "3LLR", "protein_id": "UP:Q9Y6K1", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3LLR:LIG:H:SO4:155:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3LLR", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3PFS:LIG:D:SO4:1300:.:SITE:UP:Q9ULD4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8", "domain_id": "UP:Q9ULD4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3PFS:LIG:D:SO4:1300:.", "observed_other_component": true, "pdb_id": "3PFS", "protein_id": "UP:Q9ULD4", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PFS:LIG:D:SO4:1300:.:SITE:UP:Q9ULD4:PWWP1:A", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3PFS", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3PMI:LIG:E:SO4:2:.:SITE:UP:Q2TAK8:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea", "domain_id": "UP:Q2TAK8:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3PMI:LIG:E:SO4:2:.", "observed_other_component": true, "pdb_id": "3PMI", "protein_id": "UP:Q2TAK8", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PMI:LIG:E:SO4:2:.:SITE:UP:Q2TAK8:PWWP1:A", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3PMI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3PMI:LIG:G:SO4:1:.:SITE:UP:Q2TAK8:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea", "domain_id": "UP:Q2TAK8:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3PMI:LIG:G:SO4:1:.", "observed_other_component": true, "pdb_id": "3PMI", "protein_id": "UP:Q2TAK8", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PMI:LIG:G:SO4:1:.:SITE:UP:Q2TAK8:PWWP1:B", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3PMI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:R:SO4:94:.", "observed_other_component": true, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:R:SO4:94:.", "observed_other_component": true, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:S:SO4:95:.", "observed_other_component": true, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:S:SO4:95:.", "observed_other_component": true, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QJ6:LIG:C:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QJ6:LIG:C:SO4:94:.", "observed_other_component": true, "pdb_id": "3QJ6", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QJ6:LIG:C:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QJ6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QKJ:LIG:F:SO4:3:.", "observed_other_component": true, "pdb_id": "3QKJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site 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"role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QKJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QKJ:LIG:G:SO4:4:.", "observed_other_component": true, "pdb_id": "3QKJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QKJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": 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"pdb_id": "5NR3", "protein_id": "UP:Q9UBC3", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/5NR3", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, 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