{ "code": "SASDYM2", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/A", "project": { "title": "Prothrombin recognition and conformational modulation by anti-thrombin anticoagulant aptamers.", "publication": { "title": "Prothrombin recognition and conformational modulation by anti-thrombin anticoagulant aptamers.", "author_list": "Troisi R, Cangiano A, Cowieson N, Spiridonova V, Pozzi N, Del Vecchio P, Paduano L, Sica F", "journal": "Mol Ther", "doi": "10.1016/j.ymthe.2026.07.042", "pmid": "42494063", "published_date": "2026 Jul 23" }, "status": "released", "submitted_date": "2025-11-08", "released_date": "2026-07-29" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDYM2.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDYM2.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYM2_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYM2_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDYM2_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYM2_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDYM2.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Eiger 4M", "resolution": 75.0 }, "name": "Diamond Light Source", "city": "Didcot", "country": "UK", "beamline_name": "B21", "beam_geometry": null, "type_of_source": "X-ray synchrotron", "point_source": null, "line_collimation": null, "sample_path_length": null, "line_collimation_slitlength": null, "line_collimation_integrationwidth": null, "xray_energy": null, "beam_profile_ah": null, "beam_profile_al": null }, "sample": { "molecule": [ { "long_name": "Human prothrombin", "short_name": null, "sequence": "ANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE", "organism": "Homo sapiens", "uniprot_code": "P00734", "uniprot_range_first": 44, "uniprot_range_last": 622, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC\nVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV\nNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE\nCSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA\nQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG\nDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI\nDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN\nDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP\nVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST\nRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY\nGFYTHVFRLKKWIQKVIDQFGE", "mw": 72.0, "total_mw": 72.0, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": "" }, { "long_name": "NU172", "short_name": null, "sequence": "CGCCTAGGTTGGGTAGGGTGGTGGCG", "organism": null, "uniprot_code": null, "uniprot_range_first": null, "uniprot_range_last": null, "oligomerization": "monomer", "molecular_type": "DNA", "uniprot_sequence": "", "mw": 8.155, "total_mw": 8.155, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "synthetic", "molecule_description": "" } ], "buffer": { "name": "10 mM Tris-HCl, 137 mM NaCl, 2.7 mM KCl, 5 mM CaCl2, 1% v/v glycerol,", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 7.4, "deuteration": null }, "purity_method": null, "name": "Human prothrombin complex with the oligonucleotide aptamer NU172", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": null, "full_name": "University of Naples Federico II", "webpage": null } ], "contributor_name": "Romualdo", "contributor_surname": "Troisi", "orcid": "https://orcid.org/0000-0002-3484-3589" } ], "concentration_method": null, "concentration_unit": null, "date": "2022-04-29", "storage_temperature": 4.0, "cell_temperature": 20.0, "exposure_time": 1.0, "number_of_frames": 21, "wavelength": 0.095, "sample_detector_distance": 3.7, "concentration_min": null, "concentration_max": 0.22, "sample_volume": null, "flow_rate": null, "s_min": 0.045, "s_max": 3.4, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDYM2_fit1_model1_img.png", "software": "MultiFoXS", "pdb_link": [ { "pdb_code": "6evv", "ext_code": "6EVV", "ext_type": "pdb", "difference_with_model": "identical" } ], "model_title": null, "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDYM2_fit1_model1.pdb", "model_mw": 73.12, "bead_radius": null, "log": null, "symmetry": null, "comment": "NU172-prothrombin complex with the protein in the open conformation", "user": 1290 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDYM2_fit1_fixed_fit_img.png", "software": "FoXS", "chi_square_value": 0.286411, "p_value": 0.4653, "fit_residual_plot": "SASDYM2_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDYM2_fit1.fit", "fit_log": null, "software_version": null, "description": "" } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "3.1.0", "i0_calibration_standard": null, "description": null, "experiment_description": null, "tags": [], "intensity_unit": "1/cm", "experimental_mw": 78.246, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 77.0, "porod_mw_error": null, "pddf_i0": 0.04584, "pddf_i0_error": null, "guinier_i0": 0.0467739, "guinier_i0_error": null, "pddf_rg": 3.78, "pddf_rg_error": 0.06, "guinier_rg": 3.91, "guinier_rg_error": 0.01, "pddf_dmax": 13.8, "pddf_dmax_error": null, "porod_volume": 124.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 33, "guinier_point_last": 177, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDYM2_datloglog_img.png", "symmetry": null, "last_modified": "2026-07-29T11:49:25.540932+02:00", "bragg_peak": [] }