Fatty acyl-CoA synthetase FadD5 with 2 mM ATP

{
  "code": "SASDX62",
  "status": "Published",
  "type_of_curve": "Single concentration",
  "angular_unit": "1/A",
  "project": {
    "title": "Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis.",
    "publication": {
      "title": "Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis.",
      "author_list": "Rahman MA, Dalwani S, Venkatesan R",
      "journal": "Biochem Biophys Res Commun",
      "doi": "10.1016/j.bbrc.2025.151960",
      "pmid": "40347623",
      "published_date": "2025 May 9"
    },
    "status": "released",
    "submitted_date": "2025-03-06",
    "released_date": "2025-03-07"
  },
  "pddf_data": null,
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDX62.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX62_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX62_kratky_img.png",
  "pddf_plot": null,
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX62_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDX62.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": "Probable fatty-acid-CoA ligase FadD5 (Fatty-acid-CoA synthetase) (Fatty-acid-CoA synthase)",
          "short_name": "FadD5",
          "sequence": "MGSSHHHHHHSQDPNSMTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRRVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVEDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDIPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGIGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLRLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVIPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDSDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVTNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSASAGFTERRENRQKL",
          "organism": "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)",
          "uniprot_code": "O07411",
          "uniprot_range_first": 1,
          "uniprot_range_last": 554,
          "oligomerization": "dimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRR\nVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVE\nDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDI\nPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGI\nGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLR\nLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVI\nPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDS\nDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVT\nNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSA\nSAGFTERRENRQKL",
          "mw": 61.719,
          "total_mw": 123.438,
          "number_molecules": 2,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": "The protein construct used for SAXS contains an additional 16 non-native amino acids at the N-terminus, including a polyhistidine tag (MGSSHHHHHHSQDPNS)."
        }
      ],
      "buffer": {
        "name": "20 mM HEPES, 500 mM NaCl, 5 mM MgCl2, 1 mM β-mercaptoethanol, 2mM ATP",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.5,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Fatty acyl-CoA synthetase FadD5 with 2 mM ATP",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": null,
            "address": "Finland",
            "full_name": "University of Oulu",
            "webpage": "https://www.oulu.fi"
          }
        ],
        "contributor_name": "Rajaram",
        "contributor_surname": "Venkatesan",
        "orcid": "https://orcid.org/0000-0002-7257-1211"
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2022-10-20",
    "storage_temperature": -80.0,
    "cell_temperature": 4.0,
    "exposure_time": 1.0,
    "number_of_frames": 20,
    "wavelength": 0.09537,
    "sample_detector_distance": 3.721,
    "concentration_min": null,
    "concentration_max": 4.0,
    "sample_volume": null,
    "flow_rate": null,
    "s_min": 0.101,
    "s_max": 1.799,
    "total_exposure_time": null,
    "seccolumn": null
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    {
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        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDX62_fit1_model1_img.png",
          "software": "AlphaFold",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": null,
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDX62_fit1_model1.pdb",
          "model_mw": 119.8,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": null,
          "user": 1198
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDX62_fit1_fixed_fit_img.png",
      "software": "FoXS",
      "chi_square_value": 1.102803,
      "p_value": 0.0,
      "fit_residual_plot": "SASDX62_fit1_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDX62_fit1.fit",
      "fit_log": null,
      "software_version": null,
      "description": "FadD5+ATP SAXS on FadD5 AF dimer"
    }
  ],
  "estimated_volume_method": null,
  "pddf_software": null,
  "pddf_software_version": null,
  "i0_calibration_standard": null,
  "description": null,
  "experiment_description": "Synchrotron SAXS data from solutions of Fatty acyl-CoA synthetase in 20 mM HEPES, 500 mM NaCl, 5 mM MgCl2, 1 mM β-mercaptoethanol, 2mM ATP, pH 7.5 were collected on the B21 beam line at the Diamond Light Source (Didcot, UK) using a Eiger 4M detector at a sample-detector distance of 3.72 m and at a wavelength of λ = 0.09537 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 4.00 mg/ml was measured at 4°C. 20 successive 1 s 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": 129.0,
  "experimental_mw_error": null,
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  "guinier_i0_mw_error": null,
  "porod_mw": 133.0,
  "porod_mw_error": null,
  "pddf_i0": null,
  "pddf_i0_error": null,
  "guinier_i0": 0.251016,
  "guinier_i0_error": null,
  "pddf_rg": null,
  "pddf_rg_error": null,
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  "guinier_rg_error": 0.163,
  "pddf_dmax": 12.1,
  "pddf_dmax_error": null,
  "porod_volume": 213.0,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 24,
  "guinier_point_last": 202,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDX62_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2025-03-07T11:04:38.342266+01:00",
  "bragg_peak": []
}

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