{"method": "X-RAY DIFFRACTION", "mutation_s_field": "No", "ec_number": "", "description": "They show that PSMAlpha1 and PSMAlpha4, involved in biofilm structuring, form canonical cross-Beta amyloid fibrils wherein Beta-sheets tightly mate through steric zipper interfaces, conferring high stability. Contrastingly, a truncated PSMAlpha3 has antibacterial activity, forms reversible fibrils, and reveals two polymorphic and atypical Beta-rich fibril architectures. These architectures are radically different from both the cross-Alpha fibrils formed by full-length PSMAlpha3, and from the canonical cross-Beta fibrils.", "ligstr": "CL:A:Cl -1:35.45:CHLORIDE ION:[Cl-]:InChI=1S/ClH/h1H/p-1:VEXZGXHMUGYJMC-UHFFFAOYSA-M;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;PG4:A:C8 H18 O5:194.23:TETRAETHYLENE GLYCOL:C(COCCOCCOCCO)O:InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2:UWHCKJMYHZGTIT-UHFFFAOYSA-N;SCN:A:C N S -1:58.08:THIOCYANATE ION:C(#N)[S-]:InChI=1S/CHNS/c2-1-3/h3H/p-1:ZMZDMBWJUHKJPS-UHFFFAOYSA-M", "pmid": "30158633", "remarks": "Crystal Structure of the Amyloid-like hexametric polymorph of the LFKFFK segment from the S. aureus PSMalpha3", "amyloid_non_amyloid": "Non-amyloid", "type": "Fibril", "inchi": "InChI=1S/ClH/h1H/p-1%%InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2%%InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2%%InChI=1S/CHNS/c2-1-3/h3H/p-1", "resolution": "1.51", "species": "Staphylococcus aureus", "secondary_structure": "LFKFFK#CCCCCC", "chain_id": "A%%A%%A%%A", "gene_names": "", "r_value_free": "0.162", "pdb_id": "6FHC", "reference": "Nat Commun. 2018 Aug 29;9(1):3512.", "keyword": "Psm alpha-3", "protein_name": "Psm alpha-3", "ligand_formula": "Cl -1%%C O3 -2%%C8 H18 O5%%C N S -1", "peptide_protein_sequence": "chain-ID A: LFKFFK", "entry": "S-0541", "length": "6", "uniprot_ac": "H9BRQ7", "author": "Salinas, N., Colletier, J.P., Moshe, A., Landau, M.", "ligand_smiles": "[Cl-]%%C(=O)([O-])[O-]%%C(COCCOCCOCCO)O%%C(#N)[S-]", "ligand_mw": "35.45%%60.01%%194.23%%58.08", "alternative_name": "", "ligand_name": "CHLORIDE ION%%CARBONATE ION%%TETRAETHYLENE GLYCOL%%THIOCYANATE ION", "pdb_classification": "PROTEIN FIBRIL", "global_stoichiometry": "Homo 54-mer - A54 ", "inchi_key": "VEXZGXHMUGYJMC-UHFFFAOYSA-M%%BVKZGUZCCUSVTD-UHFFFAOYSA-L%%UWHCKJMYHZGTIT-UHFFFAOYSA-N%%ZMZDMBWJUHKJPS-UHFFFAOYSA-M", "ligand_id": "CL%%CO3%%PG4%%SCN"}