{"method": "X-RAY DIFFRACTION", "mutation_s_field": "P7S ", "ec_number": "", "description": "They report the thermodynamic and in vitro fibrillogenic properties of several mutants of the lambda6 protein 6aJL2 in which Pro7 and/or His8 was substituted by Ser or Pro. The H8P and H8S mutants were almost as stable as the wild-type protein and were poorly fibrillogenic. In contrast, the P7S mutation decreased the thermodynamic stability of 6aJL2 and greatly enhanced its capacity to form amyloid-like fibrils in vitro. The crystal structure of the P7S mutant showed that the substitution induced both local and long-distance effects, such as the rearrangement of the V(L) (variable region of the light chain)-V(L) interface. in Space Group:  C 2 2 2(1)", "ligstr": "ACT:A:C2 H3 O2 -1:59.04:ACETATE ION:CC(=O)[O-]:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1:QTBSBXVTEAMEQO-UHFFFAOYSA-M;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;ACT:B:C2 H3 O2 -1:59.04:ACETATE ION:CC(=O)[O-]:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1:QTBSBXVTEAMEQO-UHFFFAOYSA-M;GOL:B: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;MES:B:C6 H13 N O4 S:195.24:2-(N-MORPHOLINO)-ETHANESULFONIC ACID:C1COCC[NH+]1CCS(=O)(=O)[O-]:InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10):SXGZJKUKBWWHRA-UHFFFAOYSA-N;ACT:C:C2 H3 O2 -1:59.04:ACETATE ION:CC(=O)[O-]:InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1:QTBSBXVTEAMEQO-UHFFFAOYSA-M;GOL:C: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", "pmid": "19941869", "remarks": "Crystal Structure of the Unstable and Highly Fibrillogenic PRO7SER Mutant of the Recombinant Variable Domain 6AJL2", "amyloid_non_amyloid": "Amyloid", "type": "Protein", "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2", "resolution": "2.3", "species": "Homo sapiens", "secondary_structure": "NFMLTQSHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDSSNHVVFGGGTKLTVL#CCCEEECCCEEECTTCEEEEEEEESSSCGGGSCCEEEEECTTCCCEEEEBTTTBCCTTSCTTEEEEEETTTTEEEEEEESCCGGGCEEEEEEEECTTCCEEEBCCEEEEEC&NFMLTQSHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDSSNHVVFGGGTKLTVL#CCCEEECCCEEECTTSCEEEEEEESSSCTTSSCCEEEEECTTSCCEEEEBTTTBCCTTSCTTEEEEEETTTTEEEEEESSCCGGGCEEEEEEEECTTCCEEEBCCEEEEEC&NFMLTQSHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDSSNHVVFGGGTKLTVL#CCCEEECSEEEECTTSCEEEEEEESSSCTTSSCCEEEEECTTSCCEEEEBTTTBCCTTSCTTEEEEEETTTTEEEEEESSCCGGGCEEEEEEEECTTCCEEECCCEEEEEC", "chain_id": "A%%A%%B%%B%%B%%C%%C", "gene_names": "", "r_value_free": "0.24600000", "pdb_id": "3BDX", "reference": "J Mol Biol. 2010 Feb 19;396(2):280-92.", "keyword": "Amyloid lambda 6 light chain variable region PIP (fragment)", "protein_name": "Amyloid lambda 6 light chain variable region PIP", "ligand_formula": "C2 H3 O2 -1%%C3 H8 O3%%C2 H3 O2 -1%%C3 H8 O3%%C6 H13 N O4 S%%C2 H3 O2 -1%%C3 H8 O3", "peptide_protein_sequence": "chain-ID A: NFMLTQSHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDSSNHVVFGGGTKLTVL; chain-ID B: NFMLTQSHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDSSNHVVFGGGTKLTVL; chain-ID C: NFMLTQSHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSSPTTVIYEDNQRPSGVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDSSNHVVFGGGTKLTVL", "entry": "S-0190", "length": "111", "uniprot_ac": "Q96JD1", "author": "Hernandez-Santoyo, A., del Pozo Yauner, L., Fuentes-Silva, D., Ortiz, E., Rudino-Pinera, E., Sanchez-Lopez, R., Horjales, E., Becerril, B., Rodriguez-Romero, A.", "ligand_smiles": "CC(=O)[O-]%%C(C(CO)O)O%%CC(=O)[O-]%%C(C(CO)O)O%%C1COCC[NH+]1CCS(=O)(=O)[O-]%%CC(=O)[O-]%%C(C(CO)O)O", "ligand_mw": "59.04%%92.09%%59.04%%92.09%%195.24%%59.04%%92.09", "alternative_name": "", "ligand_name": "ACETATE ION%%GLYCEROL%%ACETATE ION%%GLYCEROL%%2-(N-MORPHOLINO)-ETHANESULFONIC ACID%%ACETATE ION%%GLYCEROL", "pdb_classification": "IMMUNE SYSTEM", "global_stoichiometry": "Homo 2-mer - A2 ", "inchi_key": "QTBSBXVTEAMEQO-UHFFFAOYSA-M%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-M%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%SXGZJKUKBWWHRA-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-M%%PEDCQBHIVMGVHV-UHFFFAOYSA-N", "ligand_id": "ACT%%GOL%%ACT%%GOL%%MES%%ACT%%GOL"}