Browse by MODEL: Ab initio only

SASDRG5 – A ssr1698 Dri1 hemoprotein, wild-type (apo) variant + heme

Ssr1698 protein experimental SAS data
Sample: Ssr1698 protein dimer, 23 kDa Synechocystis sp. (strain … protein
Buffer: 50 mM Hepes, 200 mM NaCl, pH: 7.5
Experiment: SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2022 Sep 27
A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria. Nat Commun 15(1):3167 (2024)
Grosjean N, Yee EF, Kumaran D, Chopra K, Abernathy M, Biswas S, Byrnes J, Kreitler DF, Cheng JF, Ghosh A, Almo SC, Iwai M, Niyogi KK, Pakrasi HB, Sarangi R, van Dam H, Yang L, Blaby IK, Blaby-Haas CE
RgGuinier 2.0 nm
Dmax 6.3 nm
VolumePorod 29 nm3

SASDRH5 – A ssr1698 Dri1 hemoprotein, wild-type (as-purified) variant

Ssr1698 protein experimental SAS data
Sample: Ssr1698 protein monomer, 11 kDa Synechocystis sp. (strain … protein
Buffer: 50 mM Hepes, 200 mM NaCl, pH: 7.5
Experiment: SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2021 Dec 12
A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria. Nat Commun 15(1):3167 (2024)
Grosjean N, Yee EF, Kumaran D, Chopra K, Abernathy M, Biswas S, Byrnes J, Kreitler DF, Cheng JF, Ghosh A, Almo SC, Iwai M, Niyogi KK, Pakrasi HB, Sarangi R, van Dam H, Yang L, Blaby IK, Blaby-Haas CE
RgGuinier 1.6 nm
Dmax 5.3 nm
VolumePorod 12 nm3

SASDRJ5 – A ssr1698 Dri1 hemoprotein, wild-type (as-purified) variant + heme

Ssr1698 protein experimental SAS data
Sample: Ssr1698 protein dimer, 23 kDa Synechocystis sp. (strain … protein
Buffer: 50 mM Hepes, 200 mM NaCl, pH: 7.5
Experiment: SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2022 Jun 13
A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria. Nat Commun 15(1):3167 (2024)
Grosjean N, Yee EF, Kumaran D, Chopra K, Abernathy M, Biswas S, Byrnes J, Kreitler DF, Cheng JF, Ghosh A, Almo SC, Iwai M, Niyogi KK, Pakrasi HB, Sarangi R, van Dam H, Yang L, Blaby IK, Blaby-Haas CE
RgGuinier 1.9 nm
Dmax 6.2 nm
VolumePorod 26 nm3

SASDRK5 – A ssr1698 Dri1 hemoprotein, wild-type (Zn2+) variant

Ssr1698 protein experimental SAS data
Sample: Ssr1698 protein monomer, 11 kDa Synechocystis sp. (strain … protein
Buffer: 50 mM Hepes, 200 mM NaCl, pH: 7.5
Experiment: SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2022 Sep 27
A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria. Nat Commun 15(1):3167 (2024)
Grosjean N, Yee EF, Kumaran D, Chopra K, Abernathy M, Biswas S, Byrnes J, Kreitler DF, Cheng JF, Ghosh A, Almo SC, Iwai M, Niyogi KK, Pakrasi HB, Sarangi R, van Dam H, Yang L, Blaby IK, Blaby-Haas CE
RgGuinier 1.6 nm
Dmax 5.0 nm
VolumePorod 10 nm3

SASDRL5 – A ssr1698 Dri1 hemoprotein, wild-type (Zn2+) variant + heme

Ssr1698 protein experimental SAS data
Sample: Ssr1698 protein dimer, 23 kDa Synechocystis sp. (strain … protein
Buffer: 50 mM Hepes, 200 mM NaCl, pH: 7.5
Experiment: SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2022 Sep 27
A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria. Nat Commun 15(1):3167 (2024)
Grosjean N, Yee EF, Kumaran D, Chopra K, Abernathy M, Biswas S, Byrnes J, Kreitler DF, Cheng JF, Ghosh A, Almo SC, Iwai M, Niyogi KK, Pakrasi HB, Sarangi R, van Dam H, Yang L, Blaby IK, Blaby-Haas CE
RgGuinier 2.0 nm
Dmax 6.2 nm
VolumePorod 29 nm3

SASDRM5 – A ssr1698 Dri1 hemoprotein, wild-type (Co2+) variant + heme

Ssr1698 protein experimental SAS data
Sample: Ssr1698 protein dimer, 23 kDa Synechocystis sp. (strain … protein
Buffer: 50 mM Hepes, 200 mM NaCl, pH: 7.5
Experiment: SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2022 Jun 13
A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria. Nat Commun 15(1):3167 (2024)
Grosjean N, Yee EF, Kumaran D, Chopra K, Abernathy M, Biswas S, Byrnes J, Kreitler DF, Cheng JF, Ghosh A, Almo SC, Iwai M, Niyogi KK, Pakrasi HB, Sarangi R, van Dam H, Yang L, Blaby IK, Blaby-Haas CE
RgGuinier 2.0 nm
Dmax 6.3 nm
VolumePorod 29 nm3

SASDUC2 – TIP120 (designed based on Truncated Icosahedral Protein composed of 60-mer fusion proteins)

N-terminal split fragment of a single subunit of Truncated Icosahedral Protein composed of 60-mer fusion proteinsC-terminal split fragment of a single subunit of Truncated Isosahedral Protein composed of 60-mer fusion proteins experimental SAS data
DAMMIN model
Sample: N-terminal split fragment of a single subunit of Truncated Icosahedral Protein composed of 60-mer fusion proteins, 360 kDa synthetic construct protein
C-terminal split fragment of a single subunit of Truncated Isosahedral Protein composed of 60-mer fusion proteins, 715 kDa synthetic construct protein
Buffer: 25 mM HEPES, 100 mM NaCl, 1 mM EDTA, 5%(v/v) glycerol, pH: 8
Experiment: SAXS data collected at BL-10C, Photon Factory (PF), High Energy Accelerator Research Organization (KEK) on 2023 Nov 27
Fusion then fission: splitting and reassembly of an artificial fusion-protein nanocage. Chem Commun (Camb) (2024)
Ohara N, Kawakami N, Arai R, Adachi N, Ikeda A, Senda T, Miyamoto K
RgGuinier 9.2 nm
Dmax 22.5 nm
VolumePorod 3480 nm3

SASDUD2 – mTIP120-Ba (metal-ion induced 120-mer complex of TIP120 mutant (K26E in C-terminal subunit) with Ba ions)

N-terminal split fragment of a single subunit of Truncated Icosahedral Protein composed of 60-mer fusion proteinsK26E mutant of C-terminal split fragment of a single subunit of Truncated Icosahedral Protein composed of 60-mer fusion proteins experimental SAS data
DAMMIN model
Sample: N-terminal split fragment of a single subunit of Truncated Icosahedral Protein composed of 60-mer fusion proteins, 360 kDa synthetic construct protein
K26E mutant of C-terminal split fragment of a single subunit of Truncated Icosahedral Protein composed of 60-mer fusion proteins, 857 kDa synthetic construct protein
Buffer: 25 mM HEPES, 100 mM NaCl, 4 mM BaCl2, 5%(v/v) glycerol, pH: 8
Experiment: SAXS data collected at BL-10C, Photon Factory (PF), High Energy Accelerator Research Organization (KEK) on 2023 Nov 27
Fusion then fission: splitting and reassembly of an artificial fusion-protein nanocage. Chem Commun (Camb) (2024)
Ohara N, Kawakami N, Arai R, Adachi N, Ikeda A, Senda T, Miyamoto K
RgGuinier 9.4 nm
Dmax 22.4 nm
VolumePorod 3320 nm3

SASDGZ9 – Protein Disulfide Isomerase (PDI) purified from bovine liver

Protein disulfide-isomerase experimental SAS data
DAMMIF model
Sample: Protein disulfide-isomerase monomer, 57 kDa Bos taurus protein
Buffer: 50 mM Tris-HCL, 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2015 Nov 4
Insights on the dynamic behavior of protein disulfide isomerase in the solution environment through the SAXS technique In Silico Pharmacology 12(1) (2024)
Sanyasi C, Balakrishnan S, Chinnasamy T, Venugopalan N, Kandavelu P, Batra-Safferling R, Muthuvel S
RgGuinier 3.0 nm
Dmax 9.8 nm
VolumePorod 98 nm3

SASDH22 – Protein Disulfide Isomerase (PDI) in complex with Bovine Pancreatic Trypsin Inhibitor (BPTI)

Protein disulfide-isomerasePancreatic trypsin inhibitor experimental SAS data
DAMMIF model
Sample: Protein disulfide-isomerase monomer, 57 kDa Bos taurus protein
Pancreatic trypsin inhibitor monomer, 7 kDa Bos taurus protein
Buffer: 50 mM Tris-HCL, 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at BioCAT 18ID, Advanced Photon Source (APS), Argonne National Laboratory on 2015 Nov 4
Insights on the dynamic behavior of protein disulfide isomerase in the solution environment through the SAXS technique In Silico Pharmacology 12(1) (2024)
Sanyasi C, Balakrishnan S, Chinnasamy T, Venugopalan N, Kandavelu P, Batra-Safferling R, Muthuvel S
RgGuinier 3.2 nm
Dmax 8.9 nm
VolumePorod 88 nm3