{"global_stoichiometry": "Homo 4-mer - A4 ", "ligstr": "FLC:A:C6 H5 O7 -3:189.1:CITRATE ANION:C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O:InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3:KRKNYBCHXYNGOX-UHFFFAOYSA-K;GOL:A:C3 H8 O3:92.09:GLYCEROL:C(C(CO)O)O:InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2:PEDCQBHIVMGVHV-UHFFFAOYSA-N;SO4:A:O4 S -2:96.06:SULFATE ION:[O-]S(=O)(=O)[O-]:InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2:QAOWNCQODCNURD-UHFFFAOYSA-L", "uniprot_ac": "", "inchi": "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2", "reference": "J Mol Biol. 2011 Jan 14;405(2):341-8.", "author": "Haupt, C., Morgado, I., Kumar, S.T., Parthier, C., Bereza, M., Hortschansky, P., Stubbs, M.T., Horn, U., Fandrich, M.", "type": "Fibril complex", "ligand_id": "FLC%%GOL%%SO4", "species": "Camelidae", "method": "X-RAY DIFFRACTION", "keyword": "Immunoglobulin heavy chain antibody variable domain B10", "gene_names": "", "chain_id": "A%%A%%A", "ligand_mw": "189.1%%92.09%%96.06", "inchi_key": "KRKNYBCHXYNGOX-UHFFFAOYSA-K%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%QAOWNCQODCNURD-UHFFFAOYSA-L", "secondary_structure": "DYKDEVQLVESGGGLVQPGGSLRLSCTASGYTFSHRYHRWFRQAPGKEREIVAVISQSGMRTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAMYYCAAGTRKNVWTRQHPFDYWGQGTQVTVSSASGADHHHHHH#CCCCCCEEEEECCEEECTTCCEEEEEEEESSCGGGSEEEEEEECTTSCCEEEEEECSSSCCEEECGGGBTTEEEEEEGGGTEEEEEECSCCGGGCEEEEEEEECSSCSSCSSCGGGGBCCCEEEEECCCCCCCCCCCCC", "amyloid_non_amyloid": "Amyloid", "length": "139", "remarks": "Crystal structure of the fibril-specific B10 antibody fragment; B10 crystal structure and model of fibril binding (PDB id: 2ONV)", "protein_name": "B10 Antibody Fragment", "peptide_protein_sequence": "chain-ID A: DYKDEVQLVESGGGLVQPGGSLRLSCTASGYTFSHRYHRWFRQAPGKEREIVAVISQSGMRTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAMYYCAAGTRKNVWTRQHPFDYWGQGTQVTVSSASGADHHHHHH", "ligand_name": "CITRATE ANION%%GLYCEROL%%SULFATE ION", "ligand_smiles": "C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O%%C(C(CO)O)O%%[O-]S(=O)(=O)[O-]", "pdb_id": "3LN9", "ec_number": "", "pdb_classification": "IMMUNE SYSTEM", "mutation_s_field": "No", "ligand_formula": "C6 H5 O7 -3%%C3 H8 O3%%O4 S -2", "r_value_free": "0.233", "alternative_name": "", "description": "B10 antibody fragment presents poly-amyloid specific binding and interacts with fibrillar structures consisting of different polypeptide chains (selectively binds to Alzheimer's ABeta(1-40) amyloid fibrils). Fibril recognition depends on positively charged residues within the B10 antigen binding site. Mutation of these basic residues into alanine potently impairs fibril binding, and reduced B10-fibril interactions are also observed when the fibril carboxyl groups are covalently masked by a chemical modification approach.", "resolution": "1.8", "pmid": "21059358", "entry": "S-0264"}