{"method": "X-RAY DIFFRACTION", "mutation_s_field": "L68V ", "ec_number": "", "description": "Crystal structure of L68V mutant of human cystatin C. Compared to the wild-type cystatin C, L68V shows increased tendency for dimerization, even under milder destabilization conditions.", "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;PEG:A:C4 H10 O3:106.12:DI(HYDROXYETHYL)ETHER:C(COCCO)O:InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2:MTHSVFCYNBDYFN-UHFFFAOYSA-N", "pmid": "", "remarks": "Crystal structure of L68V mutant of human cystatin C", "amyloid_non_amyloid": "Amyloid", "type": "Protein", "inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1%%InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2", "resolution": "2.55", "species": "Homo sapiens", "secondary_structure": "SSPGKPPRLVGGPMDASVEEEGVRRALDFAVGEYNKASNDMYHSRALQVVRARKQIVAGVNYFLDVEVGRTTCTKTQPNLDNCPFHDQPHLKRKAFCSFQIYAVPWQGTMTLSKSTCQDA#CCCCCCCCCCCCCEECCTTSHHHHHHHHHHHHHHHHHCCCSSCCCCSCCCCCEECCCCCEEEEEEEEEECBSSCTTSSCGGGCCBCCSTTTCCEEEEEEEEEEETTTTEEEEEEEEEEEC", "chain_id": "A%%A", "gene_names": "CST3", "r_value_free": "0.251", "pdb_id": "3PS8", "reference": "", "keyword": "Cystatin-C", "protein_name": "Cystatin-C", "ligand_formula": "C2 H3 O2 -1%%C4 H10 O3", "peptide_protein_sequence": "chain-ID A: SSPGKPPRLVGGPMDASVEEEGVRRALDFAVGEYNKASNDMYHSRALQVVRARKQIVAGVNYFLDVEVGRTTCTKTQPNLDNCPFHDQPHLKRKAFCSFQIYAVPWQGTMTLSKSTCQDA", "entry": "S-0285", "length": "120", "uniprot_ac": "P01034", "author": "Orlikowska, M., Szymanska, A., Borek, D., Otwinowski, Z., Skowron, P., Jankowska, E.", "ligand_smiles": "CC(=O)[O-]%%C(COCCO)O", "ligand_mw": "59.04%%106.12", "alternative_name": "Cystatin-3, Gamma-trace, Neuroendocrine basic polypeptide, Post-gamma-globulin", "ligand_name": "ACETATE ION%%DI(HYDROXYETHYL)ETHER", "pdb_classification": "HYDROLASE INHIBITOR", "global_stoichiometry": "Homo 2-mer - A2 ", "inchi_key": "QTBSBXVTEAMEQO-UHFFFAOYSA-M%%MTHSVFCYNBDYFN-UHFFFAOYSA-N", "ligand_id": "ACT%%PEG"}