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SASDPY2 – SARS-CoV-2 non-structural protein 7-8 (nsp7-8) polyprotein monomer

Replicase polyprotein 1ab experimental SAS data
DAMMIF model
Sample: Replicase polyprotein 1ab monomer, 31 kDa Severe acute respiratory … protein
Buffer: 50 mM Tris, 500 mM NaCl, 5% glycerol, and 1 mM TCEP, pH: 8
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2020 Oct 15
Biochemical and structural insights into SARS-CoV-2 polyprotein processing by Mpro. Sci Adv 8(49):eadd2191 (2022)
Yadav R, Courouble VV, Dey SK, Harrison JJEK, Timm J, Hopkins JB, Slack RL, Sarafianos SG, Ruiz FX, Griffin PR, Arnold E
RgGuinier 2.5 nm
Dmax 8.8 nm
VolumePorod 50 nm3

SASDPZ2 – SARS-CoV-2 non-structural protein 7-8 (nsp7-8) polyprotein dimer

Replicase polyprotein 1ab experimental SAS data
Replicase polyprotein 1ab Kratky plot
Sample: Replicase polyprotein 1ab dimer, 63 kDa Severe acute respiratory … protein
Buffer: 50 mM Tris, 500 mM NaCl, 5% glycerol, and 1 mM TCEP, pH: 8
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2020 Oct 15
Biochemical and structural insights into SARS-CoV-2 polyprotein processing by Mpro. Sci Adv 8(49):eadd2191 (2022)
Yadav R, Courouble VV, Dey SK, Harrison JJEK, Timm J, Hopkins JB, Slack RL, Sarafianos SG, Ruiz FX, Griffin PR, Arnold E
RgGuinier 3.3 nm
Dmax 11.8 nm
VolumePorod 110 nm3

SASDP23 – SARS-CoV-2 non-structural protein 7-11 (nsp7-11) polyprotein monomer

Replicase polyprotein 1a experimental SAS data
DAMMIF model
Sample: Replicase polyprotein 1a monomer, 60 kDa Severe acute respiratory … protein
Buffer: 20 mM HEPES, 10% glycerol, 500 mM NaCl, 5 mM DTT, pH: 7.5
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2021 Nov 14
Biochemical and structural insights into SARS-CoV-2 polyprotein processing by Mpro. Sci Adv 8(49):eadd2191 (2022)
Yadav R, Courouble VV, Dey SK, Harrison JJEK, Timm J, Hopkins JB, Slack RL, Sarafianos SG, Ruiz FX, Griffin PR, Arnold E
RgGuinier 3.5 nm
Dmax 15.6 nm
VolumePorod 102 nm3

SASDP33 – SARS-CoV-2 non-structural protein 7-11 (nsp7-11) polyprotein dimer

Replicase polyprotein 1a experimental SAS data
Replicase polyprotein 1a Kratky plot
Sample: Replicase polyprotein 1a dimer, 119 kDa Severe acute respiratory … protein
Buffer: 20 mM HEPES, 10% glycerol, 500 mM NaCl, 5 mM DTT, pH: 7.5
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2021 Nov 14
Biochemical and structural insights into SARS-CoV-2 polyprotein processing by Mpro. Sci Adv 8(49):eadd2191 (2022)
Yadav R, Courouble VV, Dey SK, Harrison JJEK, Timm J, Hopkins JB, Slack RL, Sarafianos SG, Ruiz FX, Griffin PR, Arnold E
RgGuinier 4.6 nm
Dmax 19.1 nm
VolumePorod 203 nm3

SASDMG9 – Multidrug resistance operon repressor (MexR) of the MexAB-OprM multidrug efflux pump operon of Pseudomonas aeruginosa

Multidrug resistance operon repressor experimental SAS data
DAMFILT model
Sample: Multidrug resistance operon repressor dimer, 32 kDa Pseudomonas aeruginosa protein
Buffer: 20mM HEPES, 150mM NaCl, 10mM DTT, 1% v/v glycerol, pH: 7.1
Experiment: SAXS data collected at EMBL P12, PETRA III on 2020 Nov 23
Small-angle X-ray and neutron scattering of MexR and its complex with DNA supports a conformational selection binding model Biophysical Journal (2022)
Caporaletti F, Pietras Z, Morad V, Mårtensson L, Gabel F, Wallner B, Martel A, Sunnerhagen M
RgGuinier 2.3 nm
Dmax 7.7 nm
VolumePorod 56 nm3

SASDPY6 – BTB domain of longitudinals lacking protein (LOLA) at 1.0 mg/ml

Longitudinals lacking protein, isoform G experimental SAS data
ALPHAFOLD model
Sample: Longitudinals lacking protein, isoform G hexamer, 92 kDa Drosophila melanogaster protein
Buffer: 20 mM Tris, pH 7.4, 200 mM NaCl, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2018 Jul 8
BTB domains: A structural view of evolution, multimerization, and protein-protein interactions. Bioessays :e2200179 (2022)
Bonchuk A, Balagurov K, Georgiev P
RgGuinier 4.1 nm
Dmax 20.0 nm
VolumePorod 213 nm3

SASDPZ6 – BTB domain of longitudinals lacking protein (LOLA) at 3.0 mg/ml

Longitudinals lacking protein, isoform G experimental SAS data
Longitudinals lacking protein, isoform G Kratky plot
Sample: Longitudinals lacking protein, isoform G hexamer, 92 kDa Drosophila melanogaster protein
Buffer: 20 mM Tris, pH 7.4, 200 mM NaCl, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2018 Jul 8
BTB domains: A structural view of evolution, multimerization, and protein-protein interactions. Bioessays :e2200179 (2022)
Bonchuk A, Balagurov K, Georgiev P
RgGuinier 4.8 nm
Dmax 24.0 nm
VolumePorod 263 nm3

SASDP27 – BTB domain of CG6765 protein at 1.5 mg/ml

Uncharacterized protein, isoform A experimental SAS data
ALPHAFOLD model
Sample: Uncharacterized protein, isoform A hexamer, 92 kDa Drosophila melanogaster protein
Buffer: 20 mM Tris, pH 7.4, 200 mM NaCl, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2018 Jul 8
BTB domains: A structural view of evolution, multimerization, and protein-protein interactions. Bioessays :e2200179 (2022)
Bonchuk A, Balagurov K, Georgiev P
RgGuinier 3.7 nm
Dmax 15.0 nm
VolumePorod 167 nm3

SASDP37 – BTB domain of CG6765 protein at 3.0 mg/ml

Uncharacterized protein, isoform A experimental SAS data
Uncharacterized protein, isoform A Kratky plot
Sample: Uncharacterized protein, isoform A hexamer, 92 kDa Drosophila melanogaster protein
Buffer: 20 mM Tris, pH 7.4, 200 mM NaCl, 1 mM DTT, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2018 Jul 8
BTB domains: A structural view of evolution, multimerization, and protein-protein interactions. Bioessays :e2200179 (2022)
Bonchuk A, Balagurov K, Georgiev P
RgGuinier 4.1 nm
Dmax 17.0 nm
VolumePorod 192 nm3

SASDQ48 – Minimal proline dehydrogenase domain of proline utilization A (SmPutADeltaAlpha2) 1.1 mg/mL

Minimal proline dehydrogenase domain of proline utilization A (design #2) experimental SAS data
OTHER model
Sample: Minimal proline dehydrogenase domain of proline utilization A (design #2) dimer, 87 kDa Sinorhizobium meliloti protein
Buffer: 25 mM HEPES pH 7.6, 150 mM NaCl, and 1mM TCEP, pH: 7.6
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2022 Apr 12
Structure-based engineering of minimal Proline dehydrogenase domains for inhibitor discovery. Protein Eng Des Sel (2022)
Bogner AN, Ji J, Tanner JJ
RgGuinier 2.7 nm
Dmax 9.5 nm
VolumePorod 102 nm3