{"resolution": "1.62", "ligand_mw": "59.04%%65.41%%59.04%%65.41%%59.04%%65.41%%59.04%%65.41%%59.04%%195.24%%65.41%%59.04%%65.41%%65.41%%65.41", "secondary_structure": "STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR#CCSCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTSCTTEEEEECSSEEEEEESSCCGGGCEEEEEEECSSSSCCCBCCCEEEEECC&STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR#CCSCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTSCTTEEEEECSSEEEEEESSCCGGGCEEEEEEECSSSSCCCBCCCEEEEECC&STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR#CCSCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTSCTTEEEEECSSEEEEEESSCCGGGCEEEEEEECSSSSCCCBCCCEEEEECC&STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR#CCSCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTCCTTEEEECCSSEEEEEESSCCGGGCEEEEEEECSSSSCCCBCCCEEEEECC&STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR#CCSCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTCCTTEEEEECSSEEEEEESSCCGGGCEEEEEEECSSSSCCCBCCCEEEEECC&STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR#CCSCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTSCTTEEEEEETTEEEEEESSCCGGGCEEEEEEECSSSSCCCBCCCEEEEECC&STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR#CCSCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTSCTTEEEEEETTEEEEEESSCCGGGCEEEEEEECSSSSCCCBCCCEEEEECC&STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR#CCSCCEEEECSEEEECTTCCEEEEEEESSCCTTCEEEEEECTTSCCEEEEETTTEECTTCCTTEEEEECSSEEEEEESSCCGGGCEEEEEEECSSSSCCCBCCCEEEEECC", "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/Zn/q+2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/Zn/q+2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/Zn/q+2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/Zn/q+2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)%%InChI=1S/Zn/q+2%%InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2%%InChI=1S/Zn/q+2", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "", "remarks": "Tyrosine Residues mediate crucial interactions in amyloid formation for immunoglobulin light chains", "description": "Tyrosine Residues mediate crucial interactions in amyloid formation for immunoglobulin light chains", "type": "Protein", "ligand_smiles": "CC(=O)[O-]%%[Zn+2]%%CC(=O)[O-]%%[Zn+2]%%CC(=O)[O-]%%[Zn+2]%%CC(=O)[O-]%%[Zn+2]%%CC(=O)[O-]%%C1COCC[NH+]1CCS(=O)(=O)[O-]%%[Zn+2]%%CC(=O)[O-]%%[Zn+2]%%[Zn+2]%%[Zn+2]", "chain_id": "A%%A%%B%%B%%C%%C%%D%%D%%E%%E%%E%%F%%F%%G%%H", "species": "Homo sapiens", "keyword": "Amyloidogenic immunoglobulin light chain protein AL-103 Y32F Y96F,  variable domain", "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;ZN:A:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-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;ZN:B:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-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;ZN:C:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ACT:D: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;ZN:D:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ACT:E: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;MES:E: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;ZN:E:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N;ACT:F: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;ZN:F: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:H:Zn 2:65.41:ZINC ION:[Zn+2]:InChI=1S/Zn/q+2:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "pmid": "", "mutation_s_field": "Y32F/Y96F", "author": "DiCostanzo, A.C., Thompson, J.R., Peterson, F.C., F Volkman, B., Ramirez-Alvarado, M.", "pdb_id": "3U79", "amyloid_non_amyloid": "Amyloid", "inchi_key": "QTBSBXVTEAMEQO-UHFFFAOYSA-M%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-M%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-M%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-M%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-M%%SXGZJKUKBWWHRA-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%QTBSBXVTEAMEQO-UHFFFAOYSA-M%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N%%PTFCDOFLOPIGGS-UHFFFAOYSA-N", "ligand_name": "ACETATE ION%%ZINC ION%%ACETATE ION%%ZINC ION%%ACETATE ION%%ZINC ION%%ACETATE ION%%ZINC ION%%ACETATE ION%%2-(N-MORPHOLINO)-ETHANESULFONIC ACID%%ZINC ION%%ACETATE ION%%ZINC ION%%ZINC ION%%ZINC ION", "ligand_formula": "C2 H3 O2 -1%%Zn 2%%C2 H3 O2 -1%%Zn 2%%C2 H3 O2 -1%%Zn 2%%C2 H3 O2 -1%%Zn 2%%C2 H3 O2 -1%%C6 H13 N O4 S%%Zn 2%%C2 H3 O2 -1%%Zn 2%%Zn 2%%Zn 2", "ligand_id": "ACT%%ZN%%ACT%%ZN%%ACT%%ZN%%ACT%%ZN%%ACT%%MES%%ZN%%ACT%%ZN%%ZN%%ZN", "r_value_free": "0.223", "protein_name": "AL-103", "gene_names": "", "global_stoichiometry": "Homo 2-mer - A2 ", "alternative_name": "Immunoglobin", "peptide_protein_sequence": "chain-ID A: STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR; chain-ID B: STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR; chain-ID C: STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR; chain-ID D: STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR; chain-ID E: STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR; chain-ID F: STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR; chain-ID G: STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR; chain-ID H: STDIQMTQSPSSLSASVGDRVTITCQASQDISNFLIWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYHNLPPFTFGPGTKLEIKR", "pdb_classification": "IMMUNE SYSTEM", "reference": "", "length": "111", "entry": "S-0306"}