Browse by MODEL: Hybrid

SASDLL2 – Pro-CPG2-3 (pro-enzyme design 3 of circular permutant Carboxypeptidase G2-CP-N89-K177A) with Methotrexate

MethotrexatePro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 3 experimental SAS data
ROSETTA model
Sample: Methotrexate dimer, 1 kDa
Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 3 dimer, 100 kDa Pseudomonas sp. (strain … protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2018 May 8
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.5 nm
Dmax 12.3 nm
VolumePorod 125 nm3

SASDLM2 – Pro-CPG2-1-Disulfide (pro-enzyme design 1 disulfide variant of circular permutant Carboxypeptidase G2-CP-N89-K177A)

Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 Disulfide Variant experimental SAS data
ROSETTA model
Sample: Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 Disulfide Variant dimer, 96 kDa Pseudomonas sp. (strain … protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2018 Dec 6
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.6 nm
Dmax 12.6 nm
VolumePorod 120 nm3

SASDLN2 – Pro-CPG2-1-Disulfide (pro-enzyme design 1 disulfide variant of circular permutant Carboxypeptidase G2-CP-N89-K177A) with Methotrexate

MethotrexatePro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 Disulfide Variant experimental SAS data
ROSETTA model
Sample: Methotrexate dimer, 1 kDa
Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 Disulfide Variant dimer, 96 kDa Pseudomonas sp. (strain … protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2018 Dec 6
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.5 nm
Dmax 12.3 nm
VolumePorod 125 nm3

SASDNL3 – HIV-1 reverse transcriptase L289K mutation (extrapolated to zero concentration)

Gag-Pol polyprotein (HIV-1 reverse transcriptase C38V/C280S, L289K truncated to 1 - 556) experimental SAS data
BUNCH model
Sample: Gag-Pol polyprotein (HIV-1 reverse transcriptase C38V/C280S, L289K truncated to 1 - 556) monomer, 65 kDa Human immunodeficiency virus … protein
Buffer: 50 mM Bis-Tris pH 6.8, 100 mM NaCl, 1% glycerol, 0.02% w/v NaN3, pH: 6.8
Experiment: SAXS data collected at 12-ID-B SAXS/WAXS, Advanced Photon Source (APS), Argonne National Laboratory on 2021 Jun 20
Relative domain orientation of the L289K HIV ‐1 reverse transcriptase monomer Protein Science 31(5) (2022)
Xi Z, Ilina T, Guerrero M, Fan L, Sluis‐Cremer N, Wang Y, Ishima R
RgGuinier 3.2 nm
Dmax 11.1 nm
VolumePorod 90 nm3

SASDMZ5 – Arabidopsis thaliana beta-amylase 1

Beta-amylase 1, chloroplastic experimental SAS data
YASARA model
Sample: Beta-amylase 1, chloroplastic monomer, 65 kDa Arabidopsis thaliana protein
Buffer: 50 mM MES, 100 mM NaCl, 1 mM DTT, pH: 6.7
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2020 Jul 22
The BAM7 gene in Zea mays encodes a protein with similar structural and catalytic properties to Arabidopsis BAM2 Acta Crystallographica Section D Structural Biology 78(5) (2022)
Ravenburg C, Riney M, Monroe J, Berndsen C
RgGuinier 2.6 nm
Dmax 9.8 nm
VolumePorod 88 nm3

SASDMX9 – Dockerin domain-containing protein, starch adherence system 20 (Sas20), domain 1

Dockerin domain-containing protein experimental SAS data
MULTIFOXS model
Sample: Dockerin domain-containing protein monomer, 26 kDa Ruminococcus bromii protein
Buffer: phosphate buffered saline, 1 mM TCEP, pH: 7
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2021 Mar 28
Sas20 is a highly flexible starch-binding protein in the Ruminococcus bromii cell-surface amylosome Journal of Biological Chemistry :101896 (2022)
Cerqueira F, Photenhauer A, Doden H, Brown A, Abdel-Hamid A, Moraïs S, Bayer E, Wawrzak Z, Cann I, Ridlon J, Hopkins J, Koropatkin N
RgGuinier 2.1 nm
Dmax 10.3 nm
VolumePorod 42 nm3

SASDMY9 – Dockerin domain-containing protein, starch adherence system 20 (Sas20), domain 2

Dockerin domain-containing protein experimental SAS data
MULTIFOXS model
Sample: Dockerin domain-containing protein monomer, 26 kDa Ruminococcus bromii protein
Buffer: phosphate buffered saline, 1 mM TCEP, pH: 7
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2021 Mar 28
Sas20 is a highly flexible starch-binding protein in the Ruminococcus bromii cell-surface amylosome Journal of Biological Chemistry :101896 (2022)
Cerqueira F, Photenhauer A, Doden H, Brown A, Abdel-Hamid A, Moraïs S, Bayer E, Wawrzak Z, Cann I, Ridlon J, Hopkins J, Koropatkin N
RgGuinier 2.3 nm
Dmax 7.8 nm
VolumePorod 35 nm3

SASDMZ9 – Dockerin domain-containing protein, starch adherence system 20 (Sas20), domains 1 and 2

Dockerin domain-containing protein experimental SAS data
MULTIFOXS model
Sample: Dockerin domain-containing protein monomer, 57 kDa Ruminococcus bromii protein
Buffer: phosphate buffered saline, 1 mM TCEP, pH: 7
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2021 Mar 28
Sas20 is a highly flexible starch-binding protein in the Ruminococcus bromii cell-surface amylosome Journal of Biological Chemistry :101896 (2022)
Cerqueira F, Photenhauer A, Doden H, Brown A, Abdel-Hamid A, Moraïs S, Bayer E, Wawrzak Z, Cann I, Ridlon J, Hopkins J, Koropatkin N
RgGuinier 5.4 nm
Dmax 20.3 nm
VolumePorod 93 nm3

SASDN32 – Dockerin domain-containing protein, starch adherence system 20 (Sas20), domain 2 with maltoheptaose

Dockerin domain-containing protein experimental SAS data
MULTIFOXS model
Sample: Dockerin domain-containing protein monomer, 26 kDa Ruminococcus bromii protein
Buffer: phosphate buffered saline, 1 mM TCEP, pH: 7
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2021 Nov 14
Sas20 is a highly flexible starch-binding protein in the Ruminococcus bromii cell-surface amylosome Journal of Biological Chemistry :101896 (2022)
Cerqueira F, Photenhauer A, Doden H, Brown A, Abdel-Hamid A, Moraïs S, Bayer E, Wawrzak Z, Cann I, Ridlon J, Hopkins J, Koropatkin N
RgGuinier 2.1 nm
Dmax 7.4 nm
VolumePorod 41 nm3

SASDM36 – c-Myc12 DnaseI Treated G-quadruplex

c-Myc 12-tract G-quadruplex monomer Dnase I treated experimental SAS data
CHIMERA model
Sample: C-Myc 12-tract G-quadruplex monomer Dnase I treated monomer, 22 kDa synthetic construct DNA
Buffer: 6 mM Na2HPO4, 2 mM NaH2PO4, 1 mM Na2EDTA, 185 mM KCl, pH: 7.2
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2021 Sep 29
Long promoter sequences form higher-order G-quadruplexes: an integrative structural biology study of c-Myc, k-Ras and c-Kit promoter sequences. Nucleic Acids Res (2022)
Monsen RC, DeLeeuw LW, Dean WL, Gray RD, Chakravarthy S, Hopkins JB, Chaires JB, Trent JO
RgGuinier 2.0 nm
Dmax 6.7 nm
VolumePorod 25 nm3