Browse by MODEL: Ab initio only

SASDH32 – Protein Disulfide Isomerase (PDI) in Complex with Ribonuclease-A (RNase)

Protein disulfide-isomeraseRibonuclease pancreatic experimental SAS data
DAMMIF model
Sample: Protein disulfide-isomerase monomer, 57 kDa Bos taurus protein
Ribonuclease pancreatic monomer, 14 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 9.1 nm
VolumePorod 85 nm3

SASDH42 – Bovine Pancreatic Trypsin Inhibitor (BPTI) in solution environment at pH 7.5

Pancreatic trypsin inhibitor experimental SAS data
DAMMIF model
Sample: Pancreatic trypsin inhibitor dimer, 13 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 1.4 nm
Dmax 4.6 nm
VolumePorod 6 nm3

SASDH52 – Ribonuclease A (Type III-A) in a solution environment at pH 7.5

Ribonuclease pancreatic experimental SAS data
DAMMIF model
Sample: Ribonuclease pancreatic monomer, 14 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 1.9 nm
Dmax 7.2 nm
VolumePorod 20 nm3

SASDUS3 – Dark-adapted photocobilin diguanylate cyclase fusion from Acidimicrobiaceae bacterium

GGDEF domain-containing protein experimental SAS data
DAMMIF model
Sample: GGDEF domain-containing protein dimer, 132 kDa Acidimicrobiaceae bacterium protein
Buffer: 20 mM HEPES, 150 mM NaCl, pH: 6.8
Experiment: SAXS data collected at BM29, ESRF on 2022 Jan 21
Photocobilins integrate B(12) and bilin photochemistry for enzyme control. Nat Commun 15(1):2740 (2024)
Zhang S, Jeffreys LN, Poddar H, Yu Y, Liu C, Patel K, Johannissen LO, Zhu L, Cliff MJ, Yan C, Schirò G, Weik M, Sakuma M, Levy CW, Leys D, Heyes DJ, Scrutton NS
RgGuinier 4.1 nm
Dmax 14.9 nm
VolumePorod 194 nm3

SASDUT3 – Light-adapted photocobilin diguanylate cyclase fusion from Acidimicrobiaceae bacterium

GGDEF domain-containing protein experimental SAS data
DAMMIF model
Sample: GGDEF domain-containing protein dimer, 132 kDa Acidimicrobiaceae bacterium protein
Buffer: 20 mM HEPES, 150 mM NaCl, pH: 6.8
Experiment: SAXS data collected at BM29, ESRF on 2022 Jan 21
Photocobilins integrate B(12) and bilin photochemistry for enzyme control. Nat Commun 15(1):2740 (2024)
Zhang S, Jeffreys LN, Poddar H, Yu Y, Liu C, Patel K, Johannissen LO, Zhu L, Cliff MJ, Yan C, Schirò G, Weik M, Sakuma M, Levy CW, Leys D, Heyes DJ, Scrutton NS
RgGuinier 5.0 nm
Dmax 18.5 nm
VolumePorod 170 nm3

SASDKW6 – SARS-CoV-2 non-structural protein 10/non-structural protein 14/non-structural protein 16 triplex (nsp10/nsp14/nsp16)

Replicase polyprotein 1ab (non-structural protein 14)Replicase polyprotein 1a (non-structural protein 10)Replicase polyprotein 1ab (non-structural protein 16) experimental SAS data
GASBOR model
Sample: Replicase polyprotein 1ab (non-structural protein 14) monomer, 60 kDa Severe acute respiratory … protein
Replicase polyprotein 1a (non-structural protein 10) monomer, 15 kDa Severe acute respiratory … protein
Replicase polyprotein 1ab (non-structural protein 16) monomer, 33 kDa Severe acute respiratory … protein
Buffer: 50 mM Tris, 150 mM NaCl, 5 mM MgCl2, 2 mM β-mercaptoethanol, pH: 8.5
Experiment: SAXS data collected at BM29, ESRF on 2020 Dec 11
Despite the odds: formation of the SARS-CoV-2 methylation complex Nucleic Acids Research (2024)
Matsuda A, Plewka J, Rawski M, Mourão A, Zajko W, Siebenmorgen T, Kresik L, Lis K, Jones A, Pachota M, Karim A, Hartman K, Nirwal S, Sonani R, Chykunova Y, Minia I, Mak P, Landthaler M, Nowotny M, Dubin G, Sattler M, Suder P, Popowicz G, Pyrć K, Czarna A
RgGuinier 4.7 nm
Dmax 11.4 nm
VolumePorod 113 nm3

SASDSY8 – S9C peptidase from Geobacillus stearothermophilus

Acylamino-acid-releasing enzyme (I277L, V491A) experimental SAS data
GASBOR model
Sample: Acylamino-acid-releasing enzyme (I277L, V491A) tetramer, 308 kDa Geobacillus stearothermophilus protein
Buffer: 10 mM Tris, 100 mM NaCl, pH: 8
Experiment: SAXS data collected at BL-18, INDUS-2 on 2023 Aug 11
Crystal structure and solution scattering of Geobacillus stearothermophilus S9 peptidase reveal structural adaptations for carboxypeptidase activity. FEBS Lett (2024)
Chandravanshi K, Singh R, Bhange GN, Kumar A, Yadav P, Kumar A, Makde RD
RgGuinier 5.3 nm
Dmax 13.0 nm
VolumePorod 424 nm3

SASDKG8 – Central domain of the N-terminal Region of the Translocated Intimin Receptor (60-200)

Translocated intimin receptor Tir experimental SAS data
GASBOR model
Sample: Translocated intimin receptor Tir dimer, 32 kDa Escherichia coli O127:H6 … protein
Buffer: 100 mM Tris-HCl, 150 mM NaCl, 1 mM EDTA, 1 mM DTT, pH: 8
Experiment: SAXS data collected at B21, Diamond Light Source on 2019 Sep 18
The pathogen-encoded signalling receptor Tir exploits host-like intrinsic disorder for infection. Commun Biol 7(1):179 (2024)
Vieira MFM, Hernandez G, Zhong Q, Arbesú M, Veloso T, Gomes T, Martins ML, Monteiro H, Frazão C, Frankel G, Zanzoni A, Cordeiro TN
RgGuinier 3.4 nm
Dmax 13.0 nm
VolumePorod 47 nm3

SASDKU9 – Thymidylate kinase (dTMP kinase) at pH 8.0

dTMP kinase experimental SAS data
GASBOR model
Sample: DTMP kinase dimer, 57 kDa Brugia malayi protein
Buffer: 20 mM Tris, 150 mM NaCl, pH: 8
Experiment: SAXS data collected at Anton Paar SAXSpace, CSIR-Central Drug Research Institute on 2018 Oct 7
Crystal Structure of the Brugia malayi Thymidylate Kinase-dTMP Complex and Small Angle X-ray Scattering Experiments Identifies Changes in the Dimeric Association Compared to the Human Homolog Crystallography Reports 68(7):1150-1158 (2024)
Vishwakarma J, Sharma V, Kumar S, Ramachandran R
RgGuinier 3.0 nm
Dmax 8.4 nm
VolumePorod 81 nm3

SASDKL8 – S10 carboxypeptidase from Deinococccus radiodurans (S10drt1)

Carboxypeptidase-related protein experimental SAS data
GASBOR model
Sample: Carboxypeptidase-related protein 16-mer, 903 kDa Deinococcus radiodurans (strain … protein
Buffer: 20 mM Tris-Cl, 200 mM NaCl, pH: 8
Experiment: SAXS data collected at BL-18, INDUS-2 on 2020 Dec 25
Novel oligomeric assembly of S10-carboxypeptidase from Deinococcus radiodurans
RAHUL SINGH
RgGuinier 7.4 nm
Dmax 16.8 nm
VolumePorod 1180 nm3