Browse by MODEL: Hybrid

SASDE74 – Tryparedoxin W70A, oxidized state

Tryparedoxin W70A experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Tryparedoxin W70A monomer, 16 kDa Trypanosoma brucei brucei protein
Buffer: 10 mM HEPES pH 7.5, 50 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 May 31
Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes. Angew Chem Int Ed Engl (2019)
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
RgGuinier 1.7 nm
Dmax 7.7 nm
VolumePorod 31 nm3

SASDE84 – Tryparedoxin W70A, in the presence of inhibitor CFT (2-(chloromethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one)

Tryparedoxin W70A experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Tryparedoxin W70A, 16 kDa Trypanosoma brucei brucei protein
Buffer: 10 mM HEPES pH 7.5, 50 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 May 31
Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes. Angew Chem Int Ed Engl (2019)
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
RgGuinier 2.0 nm
Dmax 7.2 nm
VolumePorod 42 nm3

SASDE94 – Tryparedoxin I109A, reduced state

Tryparedoxin I109A experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Tryparedoxin I109A monomer, 16 kDa Trypanosoma brucei brucei protein
Buffer: 10 mM HEPES pH 7.5, 50 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 May 31
Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes. Angew Chem Int Ed Engl (2019)
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
RgGuinier 1.6 nm
Dmax 6.0 nm
VolumePorod 25 nm3

SASDEA4 – Tryparedoxin I109A, oxidized state

Tryparedoxin I109A experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Tryparedoxin I109A monomer, 16 kDa Trypanosoma brucei brucei protein
Buffer: 10 mM HEPES pH 7.5, 50 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 May 31
Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes. Angew Chem Int Ed Engl (2019)
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
RgGuinier 1.7 nm
Dmax 4.3 nm
VolumePorod 27 nm3

SASDEB4 – Tryparedoxin I109A, in the presence of inhibitor CFT (2-(chloromethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one)

Tryparedoxin I109A experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Tryparedoxin I109A, 16 kDa Trypanosoma brucei brucei protein
Buffer: 10 mM HEPES pH 7.5, 50 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 May 31
Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes. Angew Chem Int Ed Engl (2019)
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
RgGuinier 2.0 nm
Dmax 6.7 nm
VolumePorod 42 nm3

SASDEF4 – Tryparedoxin K102E, reduced state

Tryparedoxin K102E experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Tryparedoxin K102E monomer, 16 kDa Trypanosoma brucei brucei protein
Buffer: 10 mM HEPES pH 7.5, 50 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 May 31
Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes. Angew Chem Int Ed Engl (2019)
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
RgGuinier 1.6 nm
Dmax 6.0 nm
VolumePorod 29 nm3

SASDEG4 – Tryparedoxin K102E, oxidized state

Tryparedoxin K102E experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Tryparedoxin K102E monomer, 16 kDa Trypanosoma brucei brucei protein
Buffer: 10 mM HEPES pH 7.5, 50 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 May 31
Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes. Angew Chem Int Ed Engl (2019)
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
RgGuinier 1.6 nm
Dmax 4.3 nm
VolumePorod 26 nm3

SASDEH4 – Tryparedoxin K102E, in the presence of inhibitor CFT (2-(chloromethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one)

Tryparedoxin K102E experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Tryparedoxin K102E, 16 kDa Trypanosoma brucei brucei protein
Buffer: 10 mM HEPES pH 7.5, 50 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 May 31
Inhibitor-induced dimerization of an essential oxidoreductase from African Trypanosomes. Angew Chem Int Ed Engl (2019)
Wagner A, Le TA, Brennich M, Klein P, Bader N, Diehl E, Paszek D, Weickhmann AK, Dirdjaja N, Krauth-Siegel RL, Engels B, Opatz T, Schindelin H, Hellmich UA
RgGuinier 1.8 nm
Dmax 6.2 nm
VolumePorod 37 nm3

SASDFJ3 – Maltose binding protein-SpoIVB peptidase fusion (MBP-SpoIVB)

SpoIVB peptidase (MBP fusion) experimental SAS data
CHIMERA model
Sample: SpoIVB peptidase (MBP fusion) monomer, 80 kDa Bacillus subtilis protein
Buffer: 20 mM Tris-HCl, 150 mM NaCl, 5% glycerol, pH: 8
Experiment: SAXS data collected at BL19U2, Shanghai Synchrotron Radiation Facility (SSRF) on 2018 Jul 12
Solution Structure of SpoIVB Reveals Mechanism of PDZ Domain-Regulated Protease Activity. Front Microbiol 10:1232 (2019)
Xie X, Guo N, Xue G, Xie D, Yuan C, Harrison J, Li J, Jiang L, Huang M
RgGuinier 3.7 nm
Dmax 15.6 nm
VolumePorod 96 nm3

SASDEM5 – apo neanderthal adenylosuccinate lyase (ADSL)

Adenylosuccinate lyase experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Adenylosuccinate lyase tetramer, 221 kDa Homo sapiens neanderthalensis protein
Buffer: 10 mM HEPES, 100 mM NaCl, 1 mM DTT, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2015 Nov 13
Molecular comparison of Neanderthal and Modern Human adenylosuccinate lyase. Sci Rep 8(1):18008 (2018)
Van Laer B, Kapp U, Soler-Lopez M, Moczulska K, Pääbo S, Leonard G, Mueller-Dieckmann C
RgGuinier 3.7 nm
VolumePorod 304 nm3