{"uniprot_ac": "", "ligand_formula": "C3 H8 O3%%O4 P -3%%C3 H8 O3%%O4 P -3%%C3 H8 O3%%O4 P -3%%C3 H8 O3%%O4 P -3", "pdb_classification": "hydrolase/DNA", "amyloid_non_amyloid": "Amyloid", "ligand_smiles": "C(C(CO)O)O%%[O-]P(=O)([O-])[O-]%%C(C(CO)O)O%%[O-]P(=O)([O-])[O-]%%C(C(CO)O)O%%[O-]P(=O)([O-])[O-]%%C(C(CO)O)O%%[O-]P(=O)([O-])[O-]", "protein_name": "RNase A", "type": "Protein", "inchi_key": "PEDCQBHIVMGVHV-UHFFFAOYSA-N%%NBIIXXVUZAFLBC-UHFFFAOYSA-K%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%NBIIXXVUZAFLBC-UHFFFAOYSA-K%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%NBIIXXVUZAFLBC-UHFFFAOYSA-K%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%NBIIXXVUZAFLBC-UHFFFAOYSA-K", "remarks": "A domain-swapped RNase A dimer with implications for amyloid formation", "method": "X-RAY DIFFRACTION", "global_stoichiometry": "Monomer - A ", "inchi": "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3", "ligand_id": "GOL%%PO4%%GOL%%PO4%%GOL%%PO4%%GOL%%PO4", "entry": "S-0025", "keyword": "", "mutation_s_field": "No", "peptide_protein_sequence": "chain-ID A: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV; chain-ID B: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV; chain-ID C: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV; chain-ID D: KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV; chain-ID M: CG; chain-ID N: CG; chain-ID O: CG; chain-ID P: CG", "reference": "Nat Struct Biol. 2001 Mar;8(3):211-4", "description": "Bovine pancreatic ribonuclease (RNase A) forms two types of dimers (a major and a minor component) upon concentration in mild acid. The minor dimer forms by swapping its N-terminal Alpha-helix with that of an identical molecule. The major dimer forms by swapping its C-terminal Beta-strand. This feature permits RNase A to form tightly bonded higher oligomers. The hinge loop of the major dimer, connecting the swapped Beta-strand to the protein core, resembles a short segment of the polar zipper.", "ec_number": "3.1.27.5", "gene_names": "RNASE1, RNS1", "ligand_name": "GLYCEROL%%PHOSPHATE ION%%GLYCEROL%%PHOSPHATE ION%%GLYCEROL%%PHOSPHATE ION%%GLYCEROL%%PHOSPHATE ION", "chain_id": "A%%A%%B%%B%%C%%C%%D%%P", "pmid": "11224563", "author": "Liu, Y.S., Gotte, G., Libonati, M., Eisenberg, D.S.", "r_value_free": "0.213", "species": "", "length": "124 ,  2 ,  2 ,  2 ,  2", "secondary_structure": "KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV#CCCHHHHHHHHHBCTTCSSCCSTTHHHHHHHHTTTTSSSCCSEEEEECSCHHHHHHGGGSEEECCTTSCSCEEECSSCEEEEEEEECTTCBTTBCCEEEEEEEECEEEEEEEEEEEEEEEEEEC&KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV#CCCHHHHHHHHHBCTTSSSCCSTTHHHHHHHHTTTTSSSCCCEEEEECSCHHHHHHGGGSEEECCTTSCSCEEECSSCEEEEEEEECTTCBTTBCCEEEEEEEECEEEEEEEEEEEEEEEEEEC&KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV#CCCHHHHHHHHHBCTTCSSCCSTTHHHHHHHHTTTTSSSCCCEEEEECSCHHHHHHGGGSEEECCTTSCSCEEECSSCEEEEEEEECTTCBTTBCCEEEEEEEECEEEEEEEEEEEEEEEEEEC&KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV#CCCHHHHHHHHHBCTTSSSCCSTTHHHHHHHHTTTTSSSCCSEEEEECSCHHHHHGGGGSEEECCTTSCSCEEECSSCEEEEEEEECTTCBTTBCCEEEEEEEECEEEEEEEEEEEEEEEEEEC&CG#CC&CG#CC&CG#CC&CG#CC", "ligstr": "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;PO4:A:O4 P -3:94.97:PHOSPHATE ION:[O-]P(=O)([O-])[O-]:InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3:NBIIXXVUZAFLBC-UHFFFAOYSA-K;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;PO4:B:O4 P -3:94.97:PHOSPHATE ION:[O-]P(=O)([O-])[O-]:InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3:NBIIXXVUZAFLBC-UHFFFAOYSA-K;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;PO4:C:O4 P -3:94.97:PHOSPHATE ION:[O-]P(=O)([O-])[O-]:InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3:NBIIXXVUZAFLBC-UHFFFAOYSA-K;GOL:D: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;PO4:P:O4 P -3:94.97:PHOSPHATE ION:[O-]P(=O)([O-])[O-]:InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3:NBIIXXVUZAFLBC-UHFFFAOYSA-K", "resolution": "1.7", "ligand_mw": "92.09%%94.97%%92.09%%94.97%%92.09%%94.97%%92.09%%94.97", "pdb_id": "1F0V", "alternative_name": "RNase 1, RNase A"}