{"global_stoichiometry": "Homo 5-mer - A5", "ligstr": "CA:A:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CDG:A:C10 H16 O8:264.23:METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE:C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O:InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1:ZDZVLEQWFATHTF-IJWOWSJNSA-N;CA:B:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CDG:B:C10 H16 O8:264.23:METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE:C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O:InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1:ZDZVLEQWFATHTF-IJWOWSJNSA-N;CA:C:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CDG:C:C10 H16 O8:264.23:METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE:C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O:InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1:ZDZVLEQWFATHTF-IJWOWSJNSA-N;CA:D:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CDG:D:C10 H16 O8:264.23:METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE:C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O:InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1:ZDZVLEQWFATHTF-IJWOWSJNSA-N;CA:E:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N", "uniprot_ac": "P02743", "inchi": "InChI=1S/Ca/q+2%%InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1%%InChI=1S/Ca/q+2%%InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1%%InChI=1S/Ca/q+2%%InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1%%InChI=1S/Ca/q+2%%InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1%%InChI=1S/Ca/q+2", "reference": "J Mol Biol. 2002 Jul 26;320(5):1081-6", "author": "Thompson, D., Pepys, M.B., Tickle, I., Wood, S.P.", "type": "Protein complex", "ligand_id": "CA%%CDG%%CA%%CDG%%CA%%CDG%%CA%%CDG%%CA", "species": "Homo sapiens", "method": "X-RAY DIFFRACTION", "keyword": "SERUM AMYLOID P-COMPONENT", "gene_names": "APCS, PTX2", "chain_id": "A%%A%%B%%B%%C%%C%%D%%D%%E", "ligand_mw": "40.08%%264.23%%40.08%%264.23%%40.08%%264.23%%40.08%%264.23%%40.08", "inchi_key": "BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%ZDZVLEQWFATHTF-IJWOWSJNSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%ZDZVLEQWFATHTF-IJWOWSJNSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%ZDZVLEQWFATHTF-IJWOWSJNSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%ZDZVLEQWFATHTF-IJWOWSJNSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N", "secondary_structure": "HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCCEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSBCTTSBCEEECSSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCCEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSBCTTSBCEEECSSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCCEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSBCTTSBCEEECSSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCCEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSBCTTSBCEEECSSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCSTTCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSBCTTSBCEEEESSCEEEECCCC", "amyloid_non_amyloid": "Amyloid", "length": "204", "remarks": "The Structures of Crystalline Complexes of Human Serum Amyloid P Component with its Carbohydrate Ligand", "protein_name": "Serum amyloid P-component", "peptide_protein_sequence": "chain-ID A: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID B: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID C: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID D: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID E: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV", "ligand_name": "CALCIUM ION%%METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE%%CALCIUM ION%%METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE%%CALCIUM ION%%METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE%%CALCIUM ION%%METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE%%CALCIUM ION", "ligand_smiles": "[Ca+2]%%C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O%%[Ca+2]%%C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O%%[Ca+2]%%C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O%%[Ca+2]%%C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O%%[Ca+2]", "pdb_id": "1GYK", "ec_number": "", "pdb_classification": "GLYCOPROTEIN", "mutation_s_field": "No", "ligand_formula": "Ca 2%%C10 H16 O8%%Ca 2%%C10 H16 O8%%Ca 2%%C10 H16 O8%%Ca 2%%C10 H16 O8%%Ca 2", "r_value_free": "0.22399999", "alternative_name": "9.5S alpha-1-glycoprotein", "description": "The ability of MObDG (ligand) to displace SAP from amyloid fibres in-vitro suggests that the calcium binding site is involved in amyloid recognition and furthermore that this small compound mimics elements of the pathological substrate. The working hypothesis is that b-turns linking strands of the crossed-b structure of the fibre are good candidates for the recognition motif. It is notable that the array of interactions between MObDG andSAP can broadly mimic a tight b-turn carrying aspartic acid at the apex. Although such motifs are common in amyloid precursor proteins they are not universally present.", "resolution": "2.2", "pmid": "12126626", "entry": "S-0031"}