{ "code": "SASDF42", "status": "Published", "type_of_curve": "Single concentration", "angular_unit": "1/A", "project": { "title": "Identification of binding sites on human serum albumin for somapacitan - a long-acting growth hormone derivative.", "publication": { "title": "Identification of binding sites on human serum albumin for somapacitan - a long-acting growth hormone derivative.", "author_list": "Johansson E, Nielsen AD, Demuth H, Wiberg C, Schjødt C, Huang T, Chen J, Jensen S, Petersen J, Thygesen P", "journal": "Biochemistry", "doi": "10.1021/acs.biochem.0c00019", "pmid": "32208682", "published_date": "2020 Mar 25" }, "status": "released", "submitted_date": "2019-01-28", "released_date": "2020-03-31" }, "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDF42.out", "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDF42.dat", "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF42_dat_img.png", "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF42_kratky_img.png", "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDF42_pofr_img.png", "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDF42_guinier_img.png", "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDF42.sascif", "experiment": { "instrument": { "detector": { "type": null, "name": "Pilatus 100K", "resolution": 172.0 }, "name": "Novo Nordisk A/S", "city": "Maaloev", "country": "Denmark", "beamline_name": "Rigaku BioSAXS-2000", "beam_geometry": null, "type_of_source": "X-ray in house", "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 serum albumin", "short_name": "HSA", "sequence": "DAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAE\r\nNCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEV\r\nDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLP\r\nKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTK\r\nVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPA\r\nDLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKC\r\nCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVST\r\nPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTES\r\nLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKAT\r\nKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL", "organism": "Homo sapiens", "uniprot_code": "P02768", "uniprot_range_first": 25, "uniprot_range_last": 609, "oligomerization": "monomer", "molecular_type": "protein", "uniprot_sequence": "MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPF\nEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEP\nERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLF\nFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAV\nARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLK\nECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYAR\nRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFE\nQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVV\nLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTL\nSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLV\nAASQAALGL", "mw": 66.472, "total_mw": 66.472, "number_molecules": 1, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null }, { "long_name": "Somapacitan", "short_name": null, "sequence": "FPTIPLSRLFDNAMLRAHRLHQLAFDTYQEFEEAYIPKEQKYSFLQNPQTSLCFSESIPTPSNREETQQKSNLELLRISLLLIQSWLEPVQFLRSVFANSCVYGASDSNVYDLLKDLEEGIQTLMGRLEDGSPRTGQIFKQTYSKFDTNSHNDDALLKNYGLLYCFRKDMDKVETFLRIVQCRSVEGSCGF", "organism": "Homo sapiens", "uniprot_code": "P01241", "uniprot_range_first": 27, "uniprot_range_last": 217, "oligomerization": "dimer", "molecular_type": "protein", "uniprot_sequence": "MATGSRTSLLLAFGLLCLPWLQEGSAFPTIPLSRLFDNAMLRAHRLHQLAFDTYQEFEEA\nYIPKEQKYSFLQNPQTSLCFSESIPTPSNREETQQKSNLELLRISLLLIQSWLEPVQFLR\nSVFANSLVYGASDSNVYDLLKDLEEGIQTLMGRLEDGSPRTGQIFKQTYSKFDTNSHNDD\nALLKNYGLLYCFRKDMDKVETFLRIVQCRSVEGSCGF", "mw": 22.119, "total_mw": 44.238, "number_molecules": 2, "complex_state": false, "deuteration": null, "molecule_source": "biological", "molecule_description": null } ], "buffer": { "name": "100 mM MES, 140 mM NaCl", "concentration_unit": null, "comment": null, "additive": null, "concentration": null, "pka": null, "ph": 6.5, "deuteration": null }, "purity_method": null, "name": "Human serum albumin in complex with somapacitan", "ext_coefficient": null, "contrast": null, "specific_vol": null, "dry_vol": null, "absorbption": null, "deuteration": null, "mixture": null }, "contributor": [ { "affiliation": [ { "short_name": null, "address": "Denmark", "full_name": "Novo Nordisk A/S", "webpage": "https://www.novonordisk.com/" } ], "contributor_name": "Eva", "contributor_surname": "Johansson", "orcid": "" } ], "concentration_method": null, "concentration_unit": null, "date": "2015-09-04", "storage_temperature": null, "cell_temperature": 25.0, "exposure_time": 3600.0, "number_of_frames": 6, "wavelength": 0.1542, "sample_detector_distance": null, "concentration_min": null, "concentration_max": 6.3, "sample_volume": null, "flow_rate": null, "s_min": 0.037, "s_max": 6.45, "total_exposure_time": null, "seccolumn": null }, "fits": [ { "models": [ { "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDF42_fit1_model1_img.png", "software": "SASREF", "pdb_link": [], "model_title": null, "type_of_model": "atomic", "software_version": null, "model_data": "https://www.sasbdb.org/media/pdb_file/SASDF42_fit1_model1.pdb", "model_mw": 108.3, "bead_radius": null, "log": "https://www.sasbdb.org/media/log_files/15Anew.log", "symmetry": null, "comment": null, "user": 408 } ], "fit_unit": "1/A", "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDF42_fit1_fixed_fit_img.png", "software": "SASREF", "chi_square_value": 2.1025, "p_value": 0.002492, "fit_residual_plot": "SASDF42_fit1_fitresiduals_img.png", "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDF42_fit1.fit", "fit_log": null, "software_version": null, "description": "" } ], "estimated_volume_method": null, "pddf_software": "ATSAS GNOM", "pddf_software_version": "4.5a", "i0_calibration_standard": null, "description": null, "experiment_description": "SAXS data from solutions of HSA in complex with somapacitan in 100 mM MES, 140 mM NaCl, pH 6.5 were collected on a Rigaku BioSAXS-2000 instrument at Novo Nordisk A/S (Maaloev, Denmark) using a Pilatus 100K detector at a wavelength of λ = 0.1542 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 6.30 mg/ml was measured at 25°C. Six successive 3600 second frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.", "tags": [], "intensity_unit": "arbitrary", "experimental_mw": 113.0, "experimental_mw_error": null, "guinier_i0_mw": null, "guinier_i0_mw_error": null, "porod_mw": 126.0, "porod_mw_error": null, "pddf_i0": 6.834, "pddf_i0_error": null, "guinier_i0": 6.843, "guinier_i0_error": 0.02, "pddf_rg": 4.12, "pddf_rg_error": null, "guinier_rg": 4.06, "guinier_rg_error": 0.02, "pddf_dmax": 13.92, "pddf_dmax_error": null, "porod_volume": 202.0, "porod_volume_error": null, "estimated_volume": null, "estimated_volume_error": null, "guinier_point_first": 6, "guinier_point_last": 20, "pddf_point_first": null, "pddf_point_last": null, "i0_calibration_standard_data": null, "intensities_log_log_plot": "SASDF42_datloglog_img.png", "symmetry": null, "last_modified": "2020-11-27T12:03:56.572790+01:00", "bragg_peak": [] }