{"resolution": "2.0", "ligand_mw": "60.05%%40.08%%60.05%%40.08%%40.08%%60.05%%40.08%%60.05%%40.08", "secondary_structure": "HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSEETTSBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSEETTSBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEECCSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTTEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCSEEEEEEEESSCCCHHHHHHHHHTCCCCCSSBCTTSBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEETTSBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSEETTSBCEEEESSCEEEECCCC", "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)%%InChI=1S/Ca/q+2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)%%InChI=1S/Ca/q+2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)%%InChI=1S/Ca/q+2", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02743", "remarks": "THE STRUCTURE OF PENTAMERIC HUMAN SERUM AMYLOID P COMPONENT", "description": "Serum amyloid P component is a normal plasma protein and a universal non-fibrillar constituent of amyloid deposits. In the pathological situation, the binding of SAP to amyloid fibrils may be responsible. Protection could result simply from coating by SAP, which is completely unaltered with respect to its normal circulating form. Avaialbility of the SAP structure and its ligand binding site offer the opportunity for direct modelling of competitive inhibitor of SAP binding and producing binding site homologues (to be used as drugs).", "type": "Protein", "ligand_smiles": "CC(=O)O%%[Ca+2]%%CC(=O)O%%[Ca+2]%%[Ca+2]%%CC(=O)O%%[Ca+2]%%CC(=O)O%%[Ca+2]", "chain_id": "A%%A%%B%%B%%C%%D%%D%%E%%E", "species": "Homo sapiens", "keyword": "SERUM AMYLOID P COMPONENT", "ligstr": "ACY:A:C2 H4 O2:60.05:ACETIC ACID:CC(=O)O:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4):QTBSBXVTEAMEQO-UHFFFAOYSA-N;CA:A:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;ACY:B:C2 H4 O2:60.05:ACETIC ACID:CC(=O)O:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4):QTBSBXVTEAMEQO-UHFFFAOYSA-N;CA:B:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:C:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;ACY:D:C2 H4 O2:60.05:ACETIC ACID:CC(=O)O:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4):QTBSBXVTEAMEQO-UHFFFAOYSA-N;CA:D:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;ACY:E:C2 H4 O2:60.05:ACETIC ACID:CC(=O)O:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4):QTBSBXVTEAMEQO-UHFFFAOYSA-N;CA:E:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N", "pmid": "8114934", "mutation_s_field": "No", "author": "Emsley, J., White, H.E., O'Hara, B.P., Oliva, G., Srinivasan, N., Tickle, I.J., Blundell, T.L., Pepys, M.B., Wood, S.P.", "pdb_id": "1SAC", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "QTBSBXVTEAMEQO-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N", "ligand_name": "ACETIC ACID%%CALCIUM ION%%ACETIC ACID%%CALCIUM ION%%CALCIUM ION%%ACETIC ACID%%CALCIUM ION%%ACETIC ACID%%CALCIUM ION", "ligand_formula": "C2 H4 O2%%Ca 2%%C2 H4 O2%%Ca 2%%Ca 2%%C2 H4 O2%%Ca 2%%C2 H4 O2%%Ca 2", "ligand_id": "ACY%%CA%%ACY%%CA%%CA%%ACY%%CA%%ACY%%CA", "r_value_free": "", "protein_name": "Serum amyloid P-component", "gene_names": "APCS, PTX2", "global_stoichiometry": "Homo 5-mer - A5 ", "alternative_name": "9.5S alpha-1-glycoprotein", "peptide_protein_sequence": "chain-ID A: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID B: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID C: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID D: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID E: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV", "pdb_classification": "AMYLOID PROTEIN", "reference": "Nature. 1994 Jan 27;367(6461):338-45", "length": "204", "entry": "S-0062"}