SASDYF7

Ferric anguibactin-binding protein (FatB) in complex with the ferric catecholate ligand, Fe(3,4-DHB)2

数据类型：SASBDB 实验数据 状态：Published 曲线类型：Single concentration 最后更新：2026-04-24T10:30:31.764228+02:00

SAXS data of Fe(3,4-DHB)2-FatB were collected at two sample-to-detector distances (4 m and 1 m). The 4 m setting covered the low-q region (q ≈ 0.014 to 0.116 Å-1), and the 1 m setting covered the higher-q region (q ≈ 0.116 to 0.60 Å-1). The datasets were scaled and checked for agreement in the overlap region before merging into a single profile.

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1. 样品、组分与实验条件 Sample & Experiment

样品 1 · Ferric anguibactin-binding protein (FatB) in complex with the ferric catecholate ligand, Fe(3,4-DHB)2

浓度	— – 3.0	缓冲液 / pH	20mM Tris-HCl, 100 mM NaCl / 8.0
Experimental temperature	4.0	设备 / 束线	Pohang Accelerator Laboratory / 4C
波长	0.0734 nm	曝光	10.0 s × 50

分子组分

组分	类型 / Organism	UniProt 与Construct	寡聚状态	Molecular weight
Ferric anguibactin-binding protein 查看序列 SDKPKTVEITDAHGTVKVPVNPKNVVALDNRTFETLSDWGIKLAAAPKDIMPADSAYKKDEKVQNIGNHREPNLEIIAAANPELVIVGQRFADHYEEIKKLVPNAAVIDLNFDVSEKATKPGENLVKGLKDSTVTLGKIFNKDKEAKQLVADFDKSIEKAKSAYNGKDKVMSVIVTGGNIGFAAPHSGRVWGPMYEIFGWTPALEVSNSTAGHKGDDVSVEAIAQTNPDWIFVLDRDAATSDAAKSTPAKDVISKSPALQNTTAVSKKQVIYAPEDTYTNESIQTYIELFGNMAKTLAK	proteinBacillus cereus (strain ATCC 14579 / DSM 31 / CCUG 7414 / JCM 2152 / NBRC 15305 / NCIMB 9373 / NCTC 2599 / NRRL B-3711)	Q815N5—–—	monomer分子数 1	32.425 kDa

实验曲线

曲线	点数 / 列	q range	误差质量	负强度点	来源文件
1	1457[3]	0.01479163–0.608809 1/A	含误差列缺失 0	0	sasbdb/entries/f7/sasdyf7/source/SASDYF7.dat

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2. SASBDB 报告的指标 Reported Results

指标	方法	数值	误差	单位
dmax	P(r)	7.12	—	Å
i0	Guinier	66.8767	—	arbitrary
i0	P(r)	67.45	—	arbitrary
mw	Experimental	32.8	—	kDa
mw	Porod	26.0	—	kDa
porod_volume	Porod	42.0	—	Å³
rg	Guinier	2.057	0.018	Å
rg	P(r)	2.1	—	Å

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

该条目没有来源拟合记录。

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4. 来源文件索引 Source Files

类别	路径	Download状态	大小
curve	sasbdb/entries/f7/sasdyf7/source/SASDYF7.dat	downloaded	67131
full_entry_zip	sasbdb/entries/f7/sasdyf7/source/SASDYF7.zip	downloaded	41356
pddf	sasbdb/entries/f7/sasdyf7/source/SASDYF7.out	downloaded	88669
sascif	sasbdb/entries/f7/sasdyf7/source/SASDYF7.sascif	not_available	—
summary	sasbdb/entries/f7/sasdyf7/source/summary.json	downloaded	6145

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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“—”；Not declared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-HCl, 100 mM NaCl	缓冲液浓度	—
pH	8.0	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	2025-04-07	储存 / 测量温度	4.0 / 4.0
曝光时间	10.0	帧数	50
波长	0.0734	样品-探测器距离	4.0
光源	X-ray synchrotron	探测器	Dectris / EIGER2 X 4M
机构 / 束线	Pohang Accelerator Laboratory / 4C · Pohang, South Korea
q range	0.148 – 6.088	样品体积 / 流速	— / —

SASBDB 原始图

可Download文件

类别	文件	状态	大小	校验值	Download与查看
curve	sasbdb/entries/f7/sasdyf7/source/SASDYF7.dat	downloaded	67131	a2cd2e3db86cbfa5e81ceb10fc902fee1bf1cd93d3711bc6ab0d9ba6206d55ce	Download查看原文件源站
full_entry_zip	sasbdb/entries/f7/sasdyf7/source/SASDYF7.zip	downloaded	41356	1d0523e7fd07a3cae7275623bcd154adc9d9529c69f01a4c6e1c03a3d1aa7efa	Download查看原文件源站
pddf	sasbdb/entries/f7/sasdyf7/source/SASDYF7.out	downloaded	88669	d1b19854e8fdffdb942d56bd26702833bc0844afbc595b28b3904dfe078f6cb1	Download查看原文件源站
sascif	sasbdb/entries/f7/sasdyf7/source/SASDYF7.sascif	not_available	—	—	Download查看原文件源站
summary	sasbdb/entries/f7/sasdyf7/source/summary.json	downloaded	6145	5f610abfb3747d9c807a551d28ed6515fe4452ccfa054b66ce8b9e64d73a6a44	Download查看原文件源站

curve：来源记录

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full_entry_zip：来源记录与 ZIP 内部目录（2 项）

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  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/zip_directories/SASDYF7.zip",
  "zip_member_count": 2,
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pddf：来源记录

{
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sascif：来源记录

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  "role": "sascif",
  "status": "not_available",
  "url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDYF7.sascif"
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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：128 个字段值

字段路径	原始值
code	SASDYF7
status	Published
type_of_curve	Single concentration
angular_unit	1/A
project.title	Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.
project.publication.title	Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.
project.publication.author_list	Lee H, Kim SO, You S, Segalina A, Noh T, Ihee H
project.publication.journal	Nat Commun
project.publication.doi	10.1038/s41467-026-72127-y
project.publication.pmid	42000734
project.publication.published_date	2026 Apr 18
project.status	released
project.submitted_date	2026-02-19
project.released_date	2026-04-02
pddf_data	https://www.sasbdb.org/media/p_of_R_files/SASDYF7.out
intensities_data	https://www.sasbdb.org/media/intensities_files/SASDYF7.dat
intensities_log_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYF7_dat_img.png
intensities_kratky_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYF7_kratky_img.png
pddf_plot	https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDYF7_pofr_img.png
intensities_guinier_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYF7_guinier_img.png
sascif_data	https://www.sasbdb.org/media/sascif/sascif_files/SASDYF7.sascif
experiment.instrument.detector.type	null
experiment.instrument.detector.name	Dectris / EIGER2 X 4M
experiment.instrument.detector.resolution	0.075
experiment.instrument.name	Pohang Accelerator Laboratory
experiment.instrument.city	Pohang
experiment.instrument.country	South Korea
experiment.instrument.beamline_name	4C
experiment.instrument.beam_geometry	null
experiment.instrument.type_of_source	X-ray synchrotron
experiment.instrument.point_source	null
experiment.instrument.line_collimation	null
experiment.instrument.sample_path_length	null
experiment.instrument.line_collimation_slitlength	null
experiment.instrument.line_collimation_integrationwidth	null
experiment.instrument.xray_energy	null
experiment.instrument.beam_profile_ah	null
experiment.instrument.beam_profile_al	null
experiment.sample.molecule[0].long_name	Ferric anguibactin-binding protein
experiment.sample.molecule[0].short_name	FatB
experiment.sample.molecule[0].sequence	SDKPKTVEITDAHGTVKVPVNPKNVVALDNRTFETLSDWGIKLAAAPKDIMPADSAYKKDEKVQNIGNHREPNLEIIAAANPELVIVGQRFADHYEEIKKLVPNAAVIDLNFDVSEKATKPGENLVKGLKDSTVTLGKIFNKDKEAKQLVADFDKSIEKAKSAYNGKDKVMSVIVTGGNIGFAAPHSGRVWGPMYEIFGWTPALEVSNSTAGHKGDDVSVEAIAQTNPDWIFVLDRDAATSDAAKSTPAKDVISKSPALQNTTAVSKKQVIYAPEDTYTNESIQTYIELFGNMAKTLAK
experiment.sample.molecule[0].organism	Bacillus cereus (strain ATCC 14579 / DSM 31 / CCUG 7414 / JCM 2152 / NBRC 15305 / NCIMB 9373 / NCTC 2599 / NRRL B-3711)
experiment.sample.molecule[0].uniprot_code	Q815N5
experiment.sample.molecule[0].uniprot_range_first	null
experiment.sample.molecule[0].uniprot_range_last	null
experiment.sample.molecule[0].oligomerization	monomer
experiment.sample.molecule[0].molecular_type	protein
experiment.sample.molecule[0].uniprot_sequence	MKKSMLLKLVSILAVFTLMLVACSDSSKETSKANNKDNGSDKPKTVEITDAHGTVKVPVN PKNVVALDNRTFETLSDWGIKLAAAPKDIMPADSAYKKDEKVQNIGNHREPNLEIIAAAN PELVIVGQRFADHYEEIKKLVPNAAVIDLNFDVSEKATKPGENLVKGLKDSTVTLGKIFN KDKEAKQLVADFDKSIEKAKSAYNGKDKVMSVIVTGGNIGFAAPHSGRVWGPMYEIFGWT PALEVSNSTAGHKGDDVSVEAIAQTNPDWIFVLDRDAATSDAAKSTPAKDVISKSPALQN TTAVSKKQVIYAPEDTYTNESIQTYIELFGNMAKTLAK
experiment.sample.molecule[0].mw	32.425
experiment.sample.molecule[0].total_mw	32.425
experiment.sample.molecule[0].number_molecules	1
experiment.sample.molecule[0].complex_state	False
experiment.sample.molecule[0].deuteration	null
experiment.sample.molecule[0].molecule_source	biological
experiment.sample.molecule[0].molecule_description	FatB in complex with the ferric catecholate ligand, Fe(3,4-DHB)2.
experiment.sample.buffer.name	20mM Tris-HCl, 100 mM NaCl
experiment.sample.buffer.concentration_unit	null
experiment.sample.buffer.comment	null
experiment.sample.buffer.additive	null
experiment.sample.buffer.concentration	null
experiment.sample.buffer.pka	null
experiment.sample.buffer.ph	8.0
experiment.sample.buffer.deuteration	null
experiment.sample.purity_method	null
experiment.sample.name	Ferric anguibactin-binding protein (FatB) in complex with the ferric catecholate ligand, Fe(3,4-DHB)2
experiment.sample.ext_coefficient	null
experiment.sample.contrast	null
experiment.sample.specific_vol	null
experiment.sample.dry_vol	null
experiment.sample.absorbption	null
experiment.sample.deuteration	null
experiment.sample.mixture	null
experiment.contributor	[]
experiment.concentration_method	null
experiment.concentration_unit	null
experiment.date	2025-04-07
experiment.storage_temperature	4.0
experiment.cell_temperature	4.0
experiment.exposure_time	10.0
experiment.number_of_frames	50
experiment.wavelength	0.0734
experiment.sample_detector_distance	4.0
experiment.concentration_min	null
experiment.concentration_max	3.0
experiment.sample_volume	null
experiment.flow_rate	null
experiment.s_min	0.148
experiment.s_max	6.088
experiment.total_exposure_time	null
experiment.seccolumn	null
fits	[]
estimated_volume_method	null
pddf_software	ATSAS GNOM
pddf_software_version	5.0
i0_calibration_standard	null
description	SAXS data of Fe(3,4-DHB)2-FatB were collected at two sample-to-detector distances (4 m and 1 m). The 4 m setting covered the low-q region (q ≈ 0.014 to 0.116 Å-1), and the 1 m setting covered the higher-q region (q ≈ 0.116 to 0.60 Å-1). The datasets were scaled and checked for agreement in the overlap region before merging into a single profile.
experiment_description	null
tags	[]
intensity_unit	arbitrary
experimental_mw	32.8
experimental_mw_error	null
guinier_i0_mw	null
guinier_i0_mw_error	null
porod_mw	26.0
porod_mw_error	null
pddf_i0	67.45
pddf_i0_error	null
guinier_i0	66.8767
guinier_i0_error	null
pddf_rg	2.1
pddf_rg_error	null
guinier_rg	2.057
guinier_rg_error	0.018
pddf_dmax	7.12
pddf_dmax_error	null
porod_volume	42.0
porod_volume_error	null
estimated_volume	null
estimated_volume_error	null
guinier_point_first	20
guinier_point_last	324
pddf_point_first	null
pddf_point_last	null
i0_calibration_standard_data	null
intensities_log_log_plot	SASDYF7_datloglog_img.png
symmetry	null
last_modified	2026-04-24T10:30:31.764228+02:00
bragg_peak	[]

manifest.json：34 个字段值

字段路径	原始值
code	SASDYF7
status	success
started_at	2026-08-11T15:29:09.880688+00:00
finished_at	2026-08-11T15:29:17.936342+00:00
source_last_modified	2026-04-24T10:30:31.764228+02:00
files[0].status	downloaded
files[0].url	https://www.sasbdb.org/rest-api/entry/summary/SASDYF7/
files[0].path	/data/saxsdb/sasbdb/entries/f7/sasdyf7/source/summary.json
files[0].size	6145
files[0].sha256	5f610abfb3747d9c807a551d28ed6515fe4452ccfa054b66ce8b9e64d73a6a44
files[1].status	downloaded
files[1].url	https://www.sasbdb.org/media/intensities_files/SASDYF7.dat
files[1].path	/data/saxsdb/sasbdb/entries/f7/sasdyf7/source/SASDYF7.dat
files[1].size	67131
files[1].sha256	a2cd2e3db86cbfa5e81ceb10fc902fee1bf1cd93d3711bc6ab0d9ba6206d55ce
files[1].role	curve
files[2].status	downloaded
files[2].url	https://www.sasbdb.org/media/p_of_R_files/SASDYF7.out
files[2].path	/data/saxsdb/sasbdb/entries/f7/sasdyf7/source/SASDYF7.out
files[2].size	88669
files[2].sha256	d1b19854e8fdffdb942d56bd26702833bc0844afbc595b28b3904dfe078f6cb1
files[2].role	pddf
files[3].status	not_available
files[3].url	https://www.sasbdb.org/media/sascif/sascif_files/SASDYF7.sascif
files[3].path	/data/saxsdb/sasbdb/entries/f7/sasdyf7/source/SASDYF7.sascif
files[3].role	sascif
files[4].status	downloaded
files[4].url	https://www.sasbdb.org/media/zip_directories/SASDYF7.zip
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files[4].size	41356
files[4].sha256	1d0523e7fd07a3cae7275623bcd154adc9d9529c69f01a4c6e1c03a3d1aa7efa
files[4].role	full_entry_zip
files[4].zip_member_count	2
files[4].zip_validation	central_directory_readable

查看完整 summary.json 原文

{
  "code": "SASDYF7",
  "status": "Published",
  "type_of_curve": "Single concentration",
  "angular_unit": "1/A",
  "project": {
    "title": "Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.",
    "publication": {
      "title": "Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.",
      "author_list": "Lee H, Kim SO, You S, Segalina A, Noh T, Ihee H",
      "journal": "Nat Commun",
      "doi": "10.1038/s41467-026-72127-y",
      "pmid": "42000734",
      "published_date": "2026 Apr 18"
    },
    "status": "released",
    "submitted_date": "2026-02-19",
    "released_date": "2026-04-02"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDYF7.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDYF7.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYF7_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYF7_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDYF7_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDYF7_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDYF7.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": null,
        "name": "Dectris / EIGER2 X 4M",
        "resolution": 0.075
      },
      "name": "Pohang Accelerator Laboratory",
      "city": "Pohang",
      "country": "South Korea",
      "beamline_name": "4C",
      "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": "Ferric anguibactin-binding protein",
          "short_name": "FatB",
          "sequence": "SDKPKTVEITDAHGTVKVPVNPKNVVALDNRTFETLSDWGIKLAAAPKDIMPADSAYKKDEKVQNIGNHREPNLEIIAAANPELVIVGQRFADHYEEIKKLVPNAAVIDLNFDVSEKATKPGENLVKGLKDSTVTLGKIFNKDKEAKQLVADFDKSIEKAKSAYNGKDKVMSVIVTGGNIGFAAPHSGRVWGPMYEIFGWTPALEVSNSTAGHKGDDVSVEAIAQTNPDWIFVLDRDAATSDAAKSTPAKDVISKSPALQNTTAVSKKQVIYAPEDTYTNESIQTYIELFGNMAKTLAK",
          "organism": "Bacillus cereus (strain ATCC 14579 / DSM 31 / CCUG 7414 / JCM 2152 / NBRC 15305 / NCIMB 9373 / NCTC 2599 / NRRL B-3711)",
          "uniprot_code": "Q815N5",
          "uniprot_range_first": null,
          "uniprot_range_last": null,
          "oligomerization": "monomer",
          "molecular_type": "protein",
          "uniprot_sequence": "MKKSMLLKLVSILAVFTLMLVACSDSSKETSKANNKDNGSDKPKTVEITDAHGTVKVPVN\nPKNVVALDNRTFETLSDWGIKLAAAPKDIMPADSAYKKDEKVQNIGNHREPNLEIIAAAN\nPELVIVGQRFADHYEEIKKLVPNAAVIDLNFDVSEKATKPGENLVKGLKDSTVTLGKIFN\nKDKEAKQLVADFDKSIEKAKSAYNGKDKVMSVIVTGGNIGFAAPHSGRVWGPMYEIFGWT\nPALEVSNSTAGHKGDDVSVEAIAQTNPDWIFVLDRDAATSDAAKSTPAKDVISKSPALQN\nTTAVSKKQVIYAPEDTYTNESIQTYIELFGNMAKTLAK",
          "mw": 32.425,
          "total_mw": 32.425,
          "number_molecules": 1,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": "FatB in complex with the ferric catecholate ligand, Fe(3,4-DHB)2."
        }
      ],
      "buffer": {
        "name": "20mM Tris-HCl, 100 mM NaCl",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 8.0,
        "deuteration": null
      },
      "purity_method": null,
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  "last_modified": "2026-04-24T10:30:31.764228+02:00",
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}

查看完整 manifest.json 原文

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Title	Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganization.
作者	Lee H, Kim SO, You S, Segalina A, Noh T, Ihee H
DOI / PMID	10.1038/s41467-026-72127-y / 42000734