{"reference": "Nat Struct Mol Biol. 2008 Sep;15(9):965-71", "alternative_name": "", "entry": "S-0200", "gene_names": "B2M, CDABP0092, HDCMA22P", "remarks": "A regulatable switch mediates self-association in an immunoglobulin fold", "secondary_structure": "MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCTTCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCSSCCEEEEEECTTCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCSSCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCTTCCEEEEEECTTTSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCSSCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCSSCCEEEEEECSSCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCTTCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCTTCCEEEEEECTTCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCTTCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCSSCCEEEEEECTTCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCSSCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCTTCCEEEEEECTTCSSCEEEEECCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCTTCEEEEEESSSBCSSCEECCBEECTTCEEEEEEEEEECCCSSCCEEEEEECTTCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCSSCEEEEEECCCCCCSCEECCBEECTTCEEEEEEEEEECCCSSCCEEEEEECSSCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCSSSCEEEEEEEEEECCTTCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCTTCCEEEEEECTTCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCSSSCEEEEEEEEEECCTTCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCSSCCEEEEEECTTCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCTTCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCSSCCEEEEEECTTCSSCEEEECCCCC&MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM#CCCCCCEEEEEESSCCCTTSCEEEEEEEEEECCTTCEEEEEETTEECSSCEECCBEECTTCEEEEEEEEEECCCTTCCEEEEEECTTCSSCEEEECCCCC", "chain_id": "A%%B%%C%%D%%E%%F%%G%%G%%H%%I%%J%%K%%L", "inchi": "InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2%%InChI=1S/Cu/q+2", "amyloid_non_amyloid": "Amyloid", "pmid": "19172750", "ligand_smiles": "[Cu+2]%%[Cu+2]%%[Cu+2]%%[Cu+2]%%[Cu+2]%%[Cu+2]%%[Cu+2]%%[C@@H]([C@H](C(=O)O)O)(C(=O)O)O%%[Cu+2]%%[Cu+2]%%[Cu+2]%%[Cu+2]%%[Cu+2]", "keyword": "Beta-2-microglobulin", "peptide_protein_sequence": "chain-ID A: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID B: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID C: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID D: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID E: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID F: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID G: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID H: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID I: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID J: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID K: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM; chain-ID L: MIQRTPKIQVYSRFPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM", "uniprot_ac": "P61769", "protein_name": "Beta-2-microglobulin", "r_value_free": "0.264", "mutation_s_field": "No", "ligand_mw": "63.55%%63.55%%63.55%%63.55%%63.55%%63.55%%63.55%%150.09%%63.55%%63.55%%63.55%%63.55%%63.55", "pdb_id": "3CIQ", "inchi_key": "JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%FEWJPZIEWOKRBE-JCYAYHJZSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N%%JPVYNHNXODAKFH-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "IMMUNE SYSTEM", "type": "Aggregating complex", "author": "Calabrese, M.F., Eakin, C.M., Wang, J.M., Miranker, A.D.", "species": "Homo sapiens", "ligand_id": "CU%%CU%%CU%%CU%%CU%%CU%%CU%%TLA%%CU%%CU%%CU%%CU%%CU", "method": "X-RAY DIFFRACTION", "ligand_name": "COPPER (II) ION%%COPPER (II) ION%%COPPER (II) ION%%COPPER (II) ION%%COPPER (II) ION%%COPPER (II) ION%%COPPER (II) ION%%L(+)-TARTARIC ACID%%COPPER (II) ION%%COPPER (II) ION%%COPPER (II) ION%%COPPER (II) ION%%COPPER (II) ION", "global_stoichiometry": "Homo 6-mer - A6 ", "resolution": "2.9", "ligand_formula": "Cu 2%%Cu 2%%Cu 2%%Cu 2%%Cu 2%%Cu 2%%Cu 2%%C4 H6 O6%%Cu 2%%Cu 2%%Cu 2%%Cu 2%%Cu 2", "length": "100", "ligstr": "CU:A:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:B:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:C:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:D:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:E:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:F:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:G:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;TLA:G:C4 H6 O6:150.09:L(+)-TARTARIC ACID:[C@@H]([C@H](C(=O)O)O)(C(=O)O)O:InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1:FEWJPZIEWOKRBE-JCYAYHJZSA-N;CU:H:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:I:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:J:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:K:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N;CU:L:Cu 2:63.55:COPPER (II) ION:[Cu+2]:InChI=1S/Cu/q+2:JPVYNHNXODAKFH-UHFFFAOYSA-N", "description": "For Beta2m, oligomerization into pre-amyloidogenic states occurs in specific response to coordination by Cu2+. Metal is not a direct participant in the molecular interface. Rather, binding results in distal alterations enabling the formation of two new surfaces. These interact to form a closed hexameric species. The origins of this include isomerization of a buried and conserved cis-proline previously implicated in the Beta2m aggregation pathway."}