SASDF63

Bruton's Tyrosine Kinase - SH2-kinase domain

数据类型:SASBDB 实验数据 状态:Published 曲线类型:SEC-SAS 最后更新:2020-08-28T15:27:49.639423+02:00
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1. 样品、组分与实验条件 Sample & Experiment

样品 1 · Bruton's Tyrosine Kinase - SH2-kinase domain

浓度— – 20.4 缓冲液 / pH20mM Tris, 150mM NaCl, 1mM TCEP, 5% glycerol / 7.5
实验温度10.0 设备 / 束线ESRF / BM29
波长0.09919 nm曝光2100.0 s × 2100

分子组分

组分类型 / 物种UniProt 与构建体寡聚状态分子量
Bruton's tyrosine kinase - Src homolgy domain 2 - kinase domain
查看序列
GAMGSMTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
proteinHomo sapiens—270–659monomer分子数 145.519 kDa

实验曲线

曲线点数 / 列q 范围误差质量负强度点来源文件
11038[3]0.05892963–4.94623 1/nm含误差列缺失 039sasbdb/entries/63/sasdf63/source/SASDF63.dat
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2. SASBDB 报告的指标 Reported Results

指标方法数值误差单位
dmaxP(r)9.4—nm
i0Guinier85.10.13—
i0P(r)85.59——
mwExperimental46.65—kDa
mwPorod40.0—kDa
porod_volumePorod64.47—nm³
rgGuinier2.80.01nm
rgP(r)2.872—nm

这些数值是 SASBDB 来源记录,不是 SAXSdb 对实验曲线重新计算的结果。

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3. 来源拟合与模型 Source Fits & Models

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4. 来源文件索引 Source Files

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5. 实验说明与论文 Experiment & Publication

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6. 完整来源记录 Complete Source Record

下列内容直接来自 SASBDB 条目。字段没有值时显示“—”;未声明的单位不会由 SAXSdb 猜测。

打开 SASBDB 原始条目

缓冲液与样品属性

缓冲液名称20mM Tris, 150mM NaCl, 1mM TCEP, 5% glycerol缓冲液浓度—
pH7.5添加剂—
缓冲液说明—
纯度测定方法—消光系数—
吸收值—散射对比度—
比体积 / 干体积— / —混合物 / 氘代— / —

采集条件与仪器

测量日期2018-11-03储存 / 测量温度10.0 / 10.0
曝光时间2100.0帧数2100
波长0.09919样品-探测器距离2.869
光源X-ray synchrotron探测器Pilatus 1M
机构 / 束线ESRF / BM29 · Grenoble, France
q 范围0.059 – 4.946样品体积 / 流速— / —

SASBDB 原始图

实验 I(q)
实验 I(q)
实验 I(q) log-log
实验 I(q) log-log
Guinier 图
Guinier 图
Kratky 图
Kratky 图
P(r) 图
P(r) 图

可下载文件

类别文件状态大小校验值下载与查看
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full_entry_zipsasbdb/entries/63/sasdf63/source/SASDF63.zipdownloaded64571970d978d457bcc28064411b808bb41e82eadfdc9999b7404345b5b89022a43a6下载查看原文件源站
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curve:来源记录
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full_entry_zip:来源记录与 ZIP 内部目录(6 项)
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pddf:来源记录
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sascif:来源记录
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summary:来源记录
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全部来源字段(无筛选)

这里自动展开来源记录中的每一个字段,包括空值、列表成员和页面上方已展示过的字段。

summary.json:167 个字段值
字段路径原始值
codeSASDF63
statusPublished
type_of_curveSEC-SAS
angular_unit1/nm
project.titleBtk SH2-kinase interface is critical for allosteric kinase activation and its targeting inhibits B-cell neoplasms
project.publication.titleBtk SH2-kinase interface is critical for allosteric kinase activation and its targeting inhibits B-cell neoplasms
project.publication.author_listDuarte D, Lamontanara A, La Sala G, Jeong S, Sohn Y, Panjkovich A, Georgeon S, Kükenshöner T, Marcaida M, Pojer F, De Vivo M, Svergun D, Kim H, Dal Peraro M, Hantschel O
project.publication.journalNature Communications
project.publication.doi10.1038/s41467-020-16128-5
project.publication.pmidnull
project.publication.published_date2020 May 8
project.statusreleased
project.submitted_date2019-02-20
project.released_date2020-01-08
pddf_datahttps://www.sasbdb.org/media/p_of_R_files/SASDF63.out
intensities_datahttps://www.sasbdb.org/media/intensities_files/SASDF63.dat
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experiment.instrument.detector.typeDectris
experiment.instrument.detector.namePilatus 1M
experiment.instrument.detector.resolution172.0
experiment.instrument.nameESRF
experiment.instrument.cityGrenoble
experiment.instrument.countryFrance
experiment.instrument.beamline_nameBM29
experiment.instrument.beam_geometry
experiment.instrument.type_of_sourceX-ray synchrotron
experiment.instrument.point_sourcenull
experiment.instrument.line_collimationnull
experiment.instrument.sample_path_lengthnull
experiment.instrument.line_collimation_slitlengthnull
experiment.instrument.line_collimation_integrationwidthnull
experiment.instrument.xray_energynull
experiment.instrument.beam_profile_ahnull
experiment.instrument.beam_profile_alnull
experiment.sample.molecule[0].long_nameBruton's tyrosine kinase - Src homolgy domain 2 - kinase domain
experiment.sample.molecule[0].short_namehBtk - SH2-KD
experiment.sample.molecule[0].sequenceGAMGSMTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
experiment.sample.molecule[0].organismHomo sapiens
experiment.sample.molecule[0].uniprot_codenull
experiment.sample.molecule[0].uniprot_range_first270
experiment.sample.molecule[0].uniprot_range_last659
experiment.sample.molecule[0].oligomerizationmonomer
experiment.sample.molecule[0].molecular_typeprotein
experiment.sample.molecule[0].uniprot_sequencenull
experiment.sample.molecule[0].mw45.519
experiment.sample.molecule[0].total_mw45.519
experiment.sample.molecule[0].number_molecules1
experiment.sample.molecule[0].complex_stateFalse
experiment.sample.molecule[0].deuterationnull
experiment.sample.molecule[0].molecule_sourcebiological
experiment.sample.molecule[0].molecule_descriptionnull
experiment.sample.buffer.name20mM Tris, 150mM NaCl, 1mM TCEP, 5% glycerol
experiment.sample.buffer.concentration_unitnull
experiment.sample.buffer.commentnull
experiment.sample.buffer.additivenull
experiment.sample.buffer.concentrationnull
experiment.sample.buffer.pkanull
experiment.sample.buffer.ph7.5
experiment.sample.buffer.deuterationnull
experiment.sample.purity_methodnull
experiment.sample.nameBruton's Tyrosine Kinase - SH2-kinase domain
experiment.sample.ext_coefficientnull
experiment.sample.contrastnull
experiment.sample.specific_volnull
experiment.sample.dry_volnull
experiment.sample.absorbptionnull
experiment.sample.deuterationnull
experiment.sample.mixturenull
experiment.contributor[0].affiliation[0].short_namenull
experiment.contributor[0].affiliation[0].addressSwitzerland
experiment.contributor[0].affiliation[0].full_nameÉcole polytechnique fédérale de Lausanne (EPFL)
experiment.contributor[0].affiliation[0].webpagehttps://www.epfl.ch
experiment.contributor[0].contributor_nameDaniel
experiment.contributor[0].contributor_surnameDuarte
experiment.contributor[0].orcidhttps://orcid.org/0000-0001-6730-7582
experiment.concentration_methodnull
experiment.concentration_unitnull
experiment.date2018-11-03
experiment.storage_temperature10.0
experiment.cell_temperature10.0
experiment.exposure_time2100.0
experiment.number_of_frames2100
experiment.wavelength0.09919
experiment.sample_detector_distance2.869
experiment.concentration_minnull
experiment.concentration_max20.4
experiment.sample_volumenull
experiment.flow_ratenull
experiment.s_min0.059
experiment.s_max4.946
experiment.total_exposure_timenull
experiment.seccolumnnull
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fits[0].models[0].softwareDAMMIN
fits[0].models[0].pdb_link[]
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fits[0].models[0].bead_radius2.5
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fits[0].chi_square_value1.119
fits[0].p_value0.237315
fits[0].fit_residual_plotSASDF63_fit1_fitresiduals_img.png
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fits[0].software_versionnull
fits[0].descriptionAb initio envelope reconstruction of human Btk SH2-KD.
fits[1].models[]
fits[1].fit_unit1/A
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fits[1].softwareEOM/GAJOE
fits[1].chi_square_value1.414
fits[1].p_value0.007601
fits[1].fit_residual_plotSASDF63_fit2_fitresiduals_img.png
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fits[1].software_versionnull
fits[1].descriptionEOM analysis of human Btk SH2-KD using SH2 and KD structures as input (PDB 2GE9 and 1K2P).
estimated_volume_methodnull
pddf_softwareATSAS GNOM
pddf_software_version5.0
i0_calibration_standardnull
descriptionnull
experiment_descriptionSynchrotron SAXS data for SH2-kinase domain (amino acids 270-659) wild-type of human Bruton’s tyrosine kinase (Btk) in 20 mM Tris-HCl, 150 mM NaCl, 5% Glycerol, 1 mM TCEP, pH 7.5 were collected on the BM29 beam line at the ESRF (Grenoble, France) using a Dectris Pilatus 1M detector at a sample-detector distance of 2.849 m and at a wavelength of λ = 0.099 nm (l(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). In-line size exclusion chromatography (SEC) SAXS was performed by injecting 100µl of protein sample at 20mg/mL in a Superdex S200 Increase 10/300 column (GE Healthcare) at flow rate of 0.7mL/minute at room temperature. 2100 frames were collect during the 35 minutes total run. SEC-SAXS data frames 1031 - 1077 corresponding to monomeric peak were scaled, averaged and subtracted from an appropriate the solvent-blank to produce the final curve. The final scattering curve was analysed using PRIMUS software (ATSAS). The bead model depicts the DAMMIN ab initio reconstruction. Ensemble optimisation method (EOM) was performed using SH2 and kinase domain structures (2GE9 and 1K2P, PDB) to assess construct’s flexibility.
tags[]
intensity_unitnull
experimental_mw46.65
experimental_mw_errornull
guinier_i0_mwnull
guinier_i0_mw_errornull
porod_mw40.0
porod_mw_errornull
pddf_i085.59
pddf_i0_errornull
guinier_i085.1
guinier_i0_error0.13
pddf_rg2.872
pddf_rg_errornull
guinier_rg2.8
guinier_rg_error0.01
pddf_dmax9.4
pddf_dmax_errornull
porod_volume64.47
porod_volume_errornull
estimated_volumenull
estimated_volume_errornull
guinier_point_first33
guinier_point_last86
pddf_point_firstnull
pddf_point_lastnull
i0_calibration_standard_datanull
intensities_log_log_plotSASDF63_datloglog_img.png
symmetrynull
last_modified2020-08-28T15:27:49.639423+02:00
bragg_peak[]
manifest.json:36 个字段值
字段路径原始值
codeSASDF63
statussuccess
started_at2026-08-11T13:53:19.931510+00:00
finished_at2026-08-11T13:53:29.188664+00:00
source_last_modified2020-08-28T15:27:49.639423+02:00
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查看完整 summary.json 原文
{
  "code": "SASDF63",
  "status": "Published",
  "type_of_curve": "SEC-SAS",
  "angular_unit": "1/nm",
  "project": {
    "title": "Btk SH2-kinase interface is critical for allosteric kinase activation and its targeting inhibits B-cell neoplasms",
    "publication": {
      "title": "Btk SH2-kinase interface is critical for allosteric kinase activation and its targeting inhibits B-cell neoplasms",
      "author_list": "Duarte D, Lamontanara A, La Sala G, Jeong S, Sohn Y, Panjkovich A, Georgeon S, Kükenshöner T, Marcaida M, Pojer F, De Vivo M, Svergun D, Kim H, Dal Peraro M, Hantschel O",
      "journal": "Nature Communications",
      "doi": "10.1038/s41467-020-16128-5",
      "pmid": null,
      "published_date": "2020 May 8"
    },
    "status": "released",
    "submitted_date": "2019-02-20",
    "released_date": "2020-01-08"
  },
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          "long_name": "Bruton's tyrosine kinase - Src homolgy domain 2 - kinase domain",
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        "comment": null,
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        "pka": null,
        "ph": 7.5,
        "deuteration": null
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      "purity_method": null,
      "name": "Bruton's Tyrosine Kinase - SH2-kinase domain",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
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    },
    "contributor": [
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        "affiliation": [
          {
            "short_name": null,
            "address": "Switzerland",
            "full_name": "École polytechnique fédérale de Lausanne (EPFL)",
            "webpage": "https://www.epfl.ch"
          }
        ],
        "contributor_name": "Daniel",
        "contributor_surname": "Duarte",
        "orcid": "https://orcid.org/0000-0001-6730-7582"
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    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2018-11-03",
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    "cell_temperature": 10.0,
    "exposure_time": 2100.0,
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    "wavelength": 0.09919,
    "sample_detector_distance": 2.869,
    "concentration_min": null,
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      "software": "DAMMIN",
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      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDF63_fit2.fit",
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  "last_modified": "2020-08-28T15:27:49.639423+02:00",
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}
查看完整 manifest.json 原文
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