Browse by MODEL: Ab initio only

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
Dr. Rahul Singh
RgGuinier 7.4 nm
Dmax 16.8 nm
VolumePorod 1180 nm3

SASDTE2 – human CELSR1 EC4-7

Cadherin EGF LAG seven-pass G-type receptor 1 experimental SAS data
DAMFILT model
Sample: Cadherin EGF LAG seven-pass G-type receptor 1 monomer, 49 kDa Homo sapiens protein
Buffer: 20 mM Tris-HCl, 150 mM KCl, 50 mM NaCl, 2 mM CaCl2, 1 mM TCEP, pH: 8
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2021 Jul 1
CELSR1, a core planar cell polarity protein, features a weakly adhesive and flexible cadherin ectodomain. Structure (2024)
Tamilselvan E, Sotomayor M
RgGuinier 4.9 nm
Dmax 16.9 nm
VolumePorod 85 nm3

SASDEU9 – Legionella pneumophila Phosphocholinase AnkX

Phosphocholinase AnkX experimental SAS data
GASBOR model
Sample: Phosphocholinase AnkX monomer, 107 kDa Legionella pneumophila protein
Buffer: 300 mM NaCl, 2 mM 2-mercaptoethanol and 30 mM Tris-HCl, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2017 Oct 20
Legionella pneumophila effector AnkX
Wenhua Zhang
RgGuinier 4.3 nm
Dmax 14.7 nm
VolumePorod 145 nm3

SASDR29 – Single-chain Archaeoglobus fulgidus argonaute fAfAgo-fusion variant in high salt buffer

single-chain full Archaeoglobus fulgidus Argonaute variant experimental SAS data
OTHER model
Sample: Single-chain full Archaeoglobus fulgidus Argonaute variant monomer, 78 kDa Archaeoglobus fulgidus protein
Buffer: 20 mM TrisHCl pH 7.5, 500 mM NaCl, 5 mM MgCl2, 1 mM DTT, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2017 Aug 31
The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein. Nucleic Acids Res (2024)
Manakova E, Golovinas E, Pocevičiūtė R, Sasnauskas G, Silanskas A, Rutkauskas D, Jankunec M, Zagorskaitė E, Jurgelaitis E, Grybauskas A, Venclovas Č, Zaremba M
RgGuinier 3.1 nm
Dmax 9.7 nm
VolumePorod 142 nm3

SASDRB9 – Bruton's Tyrosine Kinase - full-length

Tyrosine-protein kinase BTK experimental SAS data
DAMMIF model
Sample: Tyrosine-protein kinase BTK monomer, 77 kDa Mus musculus protein
Buffer: 20 mM Tris-HCl, 150 mM NaCl, 1 mM DTT, 2% v/v glycerol, pH: 8
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2019 Dec 9
Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife 12 (2024)
Lin DY, Kueffer LE, Juneja P, Wales TE, Engen JR, Andreotti AH
RgGuinier 4.1 nm
Dmax 19.1 nm
VolumePorod 118 nm3

SASDRC9 – Bruton's Tyrosine Kinase - full-length with A384P, S386P, T387P, A388P and L390F mutations

Tyrosine-protein kinase BTK (A384P, S386P, T387P, A388P, L390F) experimental SAS data
DAMMIF model
Sample: Tyrosine-protein kinase BTK (A384P, S386P, T387P, A388P, L390F) monomer, 77 kDa Mus musculus protein
Buffer: 20 mM Tris-HCl, 150 mM NaCl, 1 mM DTT, 2% v/v glycerol, pH: 8
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2019 Dec 9
Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife 12 (2024)
Lin DY, Kueffer LE, Juneja P, Wales TE, Engen JR, Andreotti AH
RgGuinier 3.9 nm
Dmax 15.2 nm
VolumePorod 107 nm3

SASDRD9 – Bruton's Tyrosine Kinase - SH3-SH2-kinase domain

Tyrosine-protein kinase BTK (SH3-SH2-kinase domains) experimental SAS data
DAMMIF model
Sample: Tyrosine-protein kinase BTK (SH3-SH2-kinase domains) monomer, 52 kDa Mus musculus protein
Buffer: 20 mM Tris-HCl, 150 mM NaCl, 1 mM DTT, 2% v/v glycerol, pH: 8
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2019 Dec 9
Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife 12 (2024)
Lin DY, Kueffer LE, Juneja P, Wales TE, Engen JR, Andreotti AH
RgGuinier 2.4 nm
Dmax 7.5 nm
VolumePorod 68 nm3