{"method": "X-RAY DIFFRACTION", "mutation_s_field": "No", "ec_number": "", "description": "SAP, a protein of the human innate immune system, is universally present in amyloids. Removal of SAP through a specific aggregation mechanism mediated by multivalent ligands appears to provide therapeutic benefit in the progression of this disease. Crystallographic studies reveal that in our novel series of ligands only the methyl and carboxylate moieties of the pyruvate ketal directly interact with the protein, but the geometric constraints imposed by the tether dictate which of two chair conformations are adopted by the pyruvate dioxane ring. Solution studies, as interpreted through a simple thermodynamic model, account for the distribution of pentameric and decameric bound states at different ligand concentrations and indicate that differences in the flexibility of the tether determine the geometry and stability of the specific aggregates formed between SAP and two different bivalent ligands.", "ligstr": "CA:A:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:A:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:B:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:B:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:C:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:C:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:D:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:D:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:E:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:E:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:F:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:G:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:H:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:I:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:J:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:K:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:L:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:L:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:M:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:M:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:N:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:N:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:O:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:P:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:P:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:Q:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CPJ:Q:C16 H24 N2 O12:436.37:BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE:CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O:InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+:HAVIIPIIAVTNFO-GXZHHNFCSA-N;CA:R:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:S:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N;CA:T:Ca 2:40.08:CALCIUM ION:[Ca+2]:InChI=1S/Ca/q+2:BHPQYMZQTOCNFJ-UHFFFAOYSA-N", "pmid": "16036920", "remarks": "Decameric structure of human serum amyloid P-component bound to Bis-1,2-{[(Z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane", "amyloid_non_amyloid": "Non-amyloid", "type": "Aggregating complex", "inchi": "InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15+,16+%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2%%InChI=1S/Ca/q+2", "resolution": "2.2", "species": "Homo sapiens", "secondary_structure": "HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSEEGGGBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CCCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGCCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CCCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHTTCCCCCSSEEGGGCCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEETTSBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEETTSBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CCCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGCEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEEECCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBEEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC&HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV#CBCCTTEEEEECSCCSSCEEEECCCCCSCBSEEEEEEEEECCCCSCEEEEEEEETTEEEEEEEEEEETTEEEEEETTEEEEEECCCCSSCCEEEEEEEETTTCEEEEEETTEECCCEECCTTCCBCSSCEEEESSCCSSSSCCCCGGGCCCEEEEEEEEESSCCCHHHHHHHHHTCCCCCSSEEGGGBCEEEESSCEEEECCCC", "chain_id": "A%%A%%B%%B%%C%%C%%D%%D%%E%%E%%F%%G%%H%%I%%J%%K%%L%%L%%M%%M%%N%%N%%O%%P%%P%%Q%%Q%%R%%S%%T", "gene_names": "APCS, PTX2", "r_value_free": "0.22899999", "pdb_id": "2A3W", "reference": "J Biol Chem. 2005 Sep 9;280(36):31999-2008. Epub  2005 Jul 20", "keyword": "Serum amyloid P-component", "protein_name": "Serum amyloid P-component", "ligand_formula": "Ca 2%%C16 H24 N2 O12%%Ca 2%%C16 H24 N2 O12%%Ca 2%%C16 H24 N2 O12%%Ca 2%%C16 H24 N2 O12%%Ca 2%%C16 H24 N2 O12%%Ca 2%%Ca 2%%Ca 2%%Ca 2%%Ca 2%%Ca 2%%Ca 2%%C16 H24 N2 O12%%Ca 2%%C16 H24 N2 O12%%Ca 2%%C16 H24 N2 O12%%Ca 2%%Ca 2%%C16 H24 N2 O12%%Ca 2%%C16 H24 N2 O12%%Ca 2%%Ca 2%%Ca 2", "peptide_protein_sequence": "chain-ID A: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID B: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID C: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID D: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID E: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID F: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID G: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID H: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID I: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID J: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID K: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID L: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID M: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID N: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID O: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID P: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID Q: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID R: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID S: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV; chain-ID T: HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV", "entry": "S-0080", "length": "204", "uniprot_ac": "P02743", "author": "Ho, J.G., Kitov, P.I., Paszkiewicz, E., Sadowska, J., Bundle, D.R., Ng, K.K.", "ligand_smiles": "[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%[Ca+2]%%[Ca+2]%%[Ca+2]%%[Ca+2]%%[Ca+2]%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O%%[Ca+2]%%[Ca+2]%%[Ca+2]", "ligand_mw": "40.08%%436.37%%40.08%%436.37%%40.08%%436.37%%40.08%%436.37%%40.08%%436.37%%40.08%%40.08%%40.08%%40.08%%40.08%%40.08%%40.08%%436.37%%40.08%%436.37%%40.08%%436.37%%40.08%%40.08%%436.37%%40.08%%436.37%%40.08%%40.08%%40.08", "alternative_name": "9.5S alpha-1-glycoprotein", "ligand_name": "CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%CALCIUM ION%%CALCIUM ION%%CALCIUM ION%%CALCIUM ION%%CALCIUM ION%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE%%CALCIUM ION%%CALCIUM ION%%CALCIUM ION", "pdb_classification": "METAL BINDING PROTEIN", "global_stoichiometry": "Homo 10-mer - A10", "inchi_key": "BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%HAVIIPIIAVTNFO-GXZHHNFCSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N%%BHPQYMZQTOCNFJ-UHFFFAOYSA-N", "ligand_id": "CA%%CPJ%%CA%%CPJ%%CA%%CPJ%%CA%%CPJ%%CA%%CPJ%%CA%%CA%%CA%%CA%%CA%%CA%%CA%%CPJ%%CA%%CPJ%%CA%%CPJ%%CA%%CA%%CPJ%%CA%%CPJ%%CA%%CA%%CA"}