{"global_stoichiometry": "Homo 2-mer - A2 ", "ligstr": "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;SO4:C: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;SO4:D: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;SO4:E: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;SO4:F: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;SO4:G: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;SO4:H: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/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2%%InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2", "reference": "Proc Natl Acad Sci U S A. 2014 Apr 22;111(16):E1562-70.", "author": "Hochberg, G.K., Ecroyd, H., Liu, C., Cox, D., Cascio, D., Sawaya, M.R., Collier, M.P., Stroud, J., Carver, J.A., Baldwin, A.J., Robinson, C.V., Eisenberg, D.S., Benesch, J.L., Laganowsky, A.", "type": "Inhibitor complex", "ligand_id": "SO4%%SO4%%SO4%%SO4%%SO4%%SO4%%SO4", "species": "", "method": "X-RAY DIFFRACTION", "keyword": "", "gene_names": "CRYAB, CRYA2, HSPB5", "chain_id": "A%%C%%D%%E%%F%%G%%H", "ligand_mw": "96.06%%96.06%%96.06%%96.06%%96.06%%96.06%%96.06", "inchi_key": "QAOWNCQODCNURD-UHFFFAOYSA-L%%QAOWNCQODCNURD-UHFFFAOYSA-L%%QAOWNCQODCNURD-UHFFFAOYSA-L%%QAOWNCQODCNURD-UHFFFAOYSA-L%%QAOWNCQODCNURD-UHFFFAOYSA-L%%QAOWNCQODCNURD-UHFFFAOYSA-L%%QAOWNCQODCNURD-UHFFFAOYSA-L", "secondary_structure": "GMRLEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISRCFHRKYRIPADVDPLTITSSLSSDGVLTVNGPRKQVS#CEEECSSEEEEEEECTTCCGGGEEEEEETTEEEEEEEEEECCCCCCEEEEEEEEEEECCTTBCGGGCEEEECTTSEEEEEEEBCCCC&ERTIPITRE#CEEECEEEC&GMRLEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISRCFHRKYRIPADVDPLTITSSLSSDGVLTVNGPRKQVS#CEEECSSEEEEEEECTTSCGGGEEEEEETTEEEEEEEEEECCCCCCEEEEEEEEEEECCTTSCGGGCEEEECTTSEEEEEEECCCCC&ERTIPITRE#CEECCEECC&GMRLEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISRCFHRKYRIPADVDPLTITSSLSSDGVLTVNGPRKQVS#CEEECSSEEEEEEECTTSCGGGEEEEEETTEEEEEEEEEEECSSSCEEEEEEEEEEECCTTSCGGGCEEEECTTSEEEEEEECCCCC&ERTIPITRE#CEEECEEEC&GMRLEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISRCFHRKYRIPADVDPLTITSSLSSDGVLTVNGPRKQVS#CEEECSSEEEEEEECTTSCGGGEEEEEETTEEEEEEEEEECCCSSCEEEEEEEEEEECCTTSCGGGCEEEECTTSEEEEEEECCCCC&ERTIPITRE#CEEECCBCC", "amyloid_non_amyloid": "Non-amyloid", "length": "87 ,  9 ,  87 ,  9 ,  87 ,  9 ,  87 ,  9", "remarks": "Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide", "protein_name": "alphaB crystallin", "peptide_protein_sequence": "chain-ID A: GMRLEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISRCFHRKYRIPADVDPLTITSSLSSDGVLTVNGPRKQVS; chain-ID B: ERTIPITRE; chain-ID C: GMRLEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISRCFHRKYRIPADVDPLTITSSLSSDGVLTVNGPRKQVS; chain-ID D: ERTIPITRE; chain-ID E: GMRLEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISRCFHRKYRIPADVDPLTITSSLSSDGVLTVNGPRKQVS; chain-ID F: ERTIPITRE; chain-ID G: GMRLEKDRFSVNLDVKHFSPEELKVKVLGDVIEVHGKHEERQDEHGFISRCFHRKYRIPADVDPLTITSSLSSDGVLTVNGPRKQVS; chain-ID H: ERTIPITRE", "ligand_name": "SULFATE ION%%SULFATE ION%%SULFATE ION%%SULFATE ION%%SULFATE ION%%SULFATE ION%%SULFATE ION", "ligand_smiles": "[O-]S(=O)(=O)[O-]%%[O-]S(=O)(=O)[O-]%%[O-]S(=O)(=O)[O-]%%[O-]S(=O)(=O)[O-]%%[O-]S(=O)(=O)[O-]%%[O-]S(=O)(=O)[O-]%%[O-]S(=O)(=O)[O-]", "pdb_id": "4M5T", "ec_number": "", "pdb_classification": "CHAPERONE", "mutation_s_field": "No", "ligand_formula": "O4 S -2%%O4 S -2%%O4 S -2%%O4 S -2%%O4 S -2%%O4 S -2%%O4 S -2", "r_value_free": "0.244", "alternative_name": "Alpha(B)-crystallin, Heat shock protein beta-5, Renal carcinoma antigen NY-REN-27, Rosenthal fiber component", "description": "The structures of  small heat-shock protein's core domains (cABC, cHSP27), each in complex with a segment of their respective C-terminal regions. Both truncated proteins dimerize, and although this interface is labile in the case of cABC, in cHSP27 the dimer can be cross-linked by an intermonomer disulfide linkage.", "resolution": "2.0", "pmid": "24711386", "entry": "S-0339"}