{"reference": "Proc Natl Acad Sci U S A. 2017 Jun 13;114(24):6191-6196.", "alternative_name": "", "entry": "S-0468", "gene_names": "", "remarks": "Zinc-Binding Structure of a Catalytic Amyloid from Solid-State NMR Spectroscopy", "secondary_structure": "IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC&IHVHLQI#CEEEEEC", "chain_id": "A%%C%%E%%G%%I%%K%%O%%Q%%S%%U%%W%%Y", "inchi": "InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2", "amyloid_non_amyloid": "Amyloid", "pmid": "28566494", "ligand_smiles": "[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]%%[Zn+2]", "keyword": "ILE-HIS-VAL-HIS-LEU-GLN-ILE", "peptide_protein_sequence": "chain-ID A: IHVHLQI; chain-ID C: IHVHLQI; chain-ID E: IHVHLQI; chain-ID G: IHVHLQI; chain-ID I: IHVHLQI; chain-ID K: IHVHLQI; chain-ID O: IHVHLQI; chain-ID Q: IHVHLQI; chain-ID S: IHVHLQI; chain-ID U: IHVHLQI; chain-ID W: IHVHLQI; chain-ID Y: IHVHLQI", "uniprot_ac": "", "protein_name": "Synthetic", "r_value_free": "", "mutation_s_field": "No", "ligand_mw": "65.41%%65.41%%65.41%%65.41%%65.41%%65.41%%65.41%%65.41%%65.41%%65.41%%65.41%%65.41", "pdb_id": "5UGK", "inchi_key": "PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "METAL BINDING PROTEIN", "type": "Fibril", "author": "Lee, M., Wang, T., Makhlynets, O.V., Wu, Y., Polizzi, N.F., Wu, H., Gosavi, P.M., Stohr, J., Korendovych, I.V., DeGrado, W.F., Hong, M.", "species": "synthetic construct", "ligand_id": "ZN%%ZN%%ZN%%ZN%%ZN%%ZN%%ZN%%ZN%%ZN%%ZN%%ZN%%ZN", "method": "SOLID-STATE NMR", "ligand_name": "ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION%%ZINC ION", "global_stoichiometry": "Homo 12-mer - A12", "resolution": "", "ligand_formula": "Zn 2%%Zn 2%%Zn 2%%Zn 2%%Zn 2%%Zn 2%%Zn 2%%Zn 2%%Zn 2%%Zn 2%%Zn 2%%Zn 2", "length": "7", "ligstr": "ZN:A:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:C:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:E:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:G:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:I:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:K:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:O:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:Q:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:S:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:U:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:W:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ZN:Y:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "description": "They determine the structure of a zinc-bound metalloamyloid that catalyzes ester hydrolysis. The peptide forms amphiphilic parallel Beta-sheets that assemble into stacked bilayers with alternating hydrophobic and polar interfaces. The hydrophobic interface is stabilized by apolar side chains from adjacent sheets, whereas the hydrated polar interface houses the Zn 2+ -binding histidines with binding geometries unusual in proteins. Each Zn 2+ has two bis-coordinated histidine ligands, which bridge adjacent strands to form an infinite metal-ligand chain along the fibril axis. A third histidine completes the protein ligand environment, leaving a free site on the Zn 2+ for water activation. "}