{"reference": "Angew Chem Int Ed Engl. 2017 Jun 19;56(26):7510-7514.", "alternative_name": "", "entry": "S-0441", "gene_names": "", "remarks": "Refolded AL protein from cardiac amyloidosis", "secondary_structure": "SELTQDPAVSVALGQTVRITCQGDSLRSYSASWYQQKPGQAPVLVIFRKSNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCNSRDSSANHQVFGGGTKLTVLGQPKAAPS#CCCEECSEEEEETTSEEEEEEECGGGGTSCCEEEEECTTSCCEEEEBTTTBCCTTCCTTEEEEEETTEEEEEEESCCGGGCEEEEEEEECSSTTEEEECCCEEEEEECCCCCCCC&SELTQDPAVSVALGQTVRITCQGDSLRSYSASWYQQKPGQAPVLVIFRKSNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCNSRDSSANHQVFGGGTKLTVLGQPKAAPS#CCCEECSEEEEETTCEEEEEEECGGGGTSCCEEEEECTTSCCEEEEBTTTBCCTTCCTTEEEEEETTEEEEEEESCCGGGCEEEEEEEECSSTTEEEECCCEEEEEECCCCCCCC", "chain_id": "A%%A%%A%%A%%B%%B%%B%%B%%B", "inchi": "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2%%InChI=1S/Na/q+1%%InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2%%InChI=1S/Zn/q+2%%InChI=1S/ClH/h1H/p-1%%InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2%%InChI=1S/Na/q+1%%InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2%%InChI=1S/Zn/q+2", "amyloid_non_amyloid": "Amyloid", "pmid": "28544119", "ligand_smiles": "C(=O)([O-])[O-]%%[Na+]%%C(COCCO)O%%[Zn+2]%%[Cl-]%%C(=O)([O-])[O-]%%[Na+]%%C(COCCOCCO)O%%[Zn+2]", "keyword": "H5AL", "peptide_protein_sequence": "chain-ID A: SELTQDPAVSVALGQTVRITCQGDSLRSYSASWYQQKPGQAPVLVIFRKSNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCNSRDSSANHQVFGGGTKLTVLGQPKAAPS; chain-ID B: SELTQDPAVSVALGQTVRITCQGDSLRSYSASWYQQKPGQAPVLVIFRKSNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCNSRDSSANHQVFGGGTKLTVLGQPKAAPS", "uniprot_ac": "", "protein_name": "AL protein", "r_value_free": "0.182", "mutation_s_field": "No", "ligand_mw": "60.01%%22.99%%106.12%%65.41%%35.45%%60.01%%22.99%%150.17%%65.41", "pdb_id": "5L6Q", "inchi_key": "BVKZGUZCCUSVTD-UHFFFAOYSA-L%%FKNQFGJONOIPTF-UHFFFAOYSA-N%%MTHSVFCYNBDYFN-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%VEXZGXHMUGYJMC-UHFFFAOYSA-M%%BVKZGUZCCUSVTD-UHFFFAOYSA-L%%FKNQFGJONOIPTF-UHFFFAOYSA-N%%ZIBGPFATKBEMQZ-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "IMMUNE SYSTEM", "type": "Protein", "author": "Annamalai, K., Liberta, F., Vielberg, M.T., Close, W., Lilie, H., Guhrs, K.H., Schierhorn, A., Koehler, R., Schmidt, A., Haupt, C., Hegenbart, U., Schonland, S., Schmidt, M., Groll, M., Fandrich, M.", "species": "Homo sapiens", "ligand_id": "CO3%%nan%%PEG%%ZN%%CL%%CO3%%nan%%PGE%%ZN", "method": "X-RAY DIFFRACTION", "ligand_name": "CARBONATE ION%%SODIUM ION%%DI(HYDROXYETHYL)ETHER%%ZINC ION%%CHLORIDE ION%%CARBONATE ION%%SODIUM ION%%TRIETHYLENE GLYCOL%%ZINC ION", "global_stoichiometry": "Homo 2-mer -A2", "resolution": "1.4", "ligand_formula": "C O3 -2%%Na 1%%C4 H10 O3%%Zn 2%%Cl -1%%C O3 -2%%Na 1%%C6 H14 O4%%Zn 2", "length": "115", "ligstr": "CO3:A:C O3 -2:60.01:CARBONATE ION:C(=O)([O-])[O-]:InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2:BVKZGUZCCUSVTD-UHFFFAOYSA-L;nan:A:Na 1:22.99:SODIUM ION:[Na+]:InChI=1S/Na/q+1:FKNQFGJONOIPTF-UHFFFAOYSA-N;PEG:A:C4 H10 O3:106.12:DI(HYDROXYETHYL)ETHER:C(COCCO)O:InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2:MTHSVFCYNBDYFN-UHFFFAOYSA-N;ZN:A:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;CL:B:Cl -1:35.45:CHLORIDE ION:[Cl-]:InChI=1S/ClH/h1H/p-1:VEXZGXHMUGYJMC-UHFFFAOYSA-M;CO3:B:C O3 -2:60.01:CARBONATE ION:C(=O)([O-])[O-]:InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2:BVKZGUZCCUSVTD-UHFFFAOYSA-L;nan:B:Na 1:22.99:SODIUM ION:[Na+]:InChI=1S/Na/q+1:FKNQFGJONOIPTF-UHFFFAOYSA-N;PGE:B:C6 H14 O4:150.17:TRIETHYLENE GLYCOL:C(COCCOCCO)O:InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2:ZIBGPFATKBEMQZ-UHFFFAOYSA-N;ZN:B:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "description": "Chemical and biophysical analysis of amyloid fibrils from human AL and murine AA amyloidosis reveal the same fibril morphologies in different tissues or organs of one patient or diseased animal. The observed structural similarities concerned the fibril morphology, the fibril protein primary and secondary structures, the presence of post-translational modifications and, in case of the AL fibrils, the partially folded characteristics of the polypeptide chain within the fibril. The structure is Refolded AL protein from cardiac amyloidosis"}