SASBDB entries for UniProt ID:

SASDL92 – Human acetylcholinesterase, covalently bound to paraoxon

UniProt ID: P22303-1 (32-578) acetylcholinesterase

UniProt ID: P22303-1 (32-578) acetylcholinesterase
acetylcholinesteraseacetylcholinesterase experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Acetylcholinesterase dimer, 120 kDa Homo sapiens protein
Acetylcholinesterase monomer, 60 kDa Homo sapiens protein
Buffer: 50 mM Tris/HCl, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at BL4-2, Stanford Synchrotron Radiation Lightsource (SSRL) on 2015 May 29
Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects. J Biol Chem :101007 (2021)
Blumenthal DK, Cheng X, Fajer M, Ho KY, Rohrer J, Gerlits O, Taylor P, Juneja P, Kovalevsky A, Radić Z
RgGuinier 3.4 nm
Dmax 12.0 nm
VolumePorod 142 nm3

SASDLA2 – Mothers against decapentaplegic homolog 2, SMAD2 phosphomimetic mutant 0.5 mg/ml

UniProt ID: Q15796 (1-463) Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant)
Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant) experimental SAS data
Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant) Kratky plot
Sample: Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant), 53 kDa Homo sapiens protein
Buffer: 20 mM Tris, 150 mM NaCl, pH: 7.2
Experiment: SAXS data collected at BM29, ESRF on 2016 Apr 4
Conformational landscape of multidomain SMAD proteins Computational and Structural Biotechnology Journal (2021)
Gomes T, Martin-Malpartida P, Ruiz L, Aragón E, Cordeiro T, Macias M
RgGuinier 5.1 nm
Dmax 20.0 nm

SASDLB2 – Mothers against decapentaplegic homolog 2, SMAD2 phosphomimetic mutant 1 mg/ml

UniProt ID: Q15796 (1-463) Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant)
Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant) experimental SAS data
Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant) Kratky plot
Sample: Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant), 53 kDa Homo sapiens protein
Buffer: 20 mM Tris, 150 mM NaCl, pH: 7.2
Experiment: SAXS data collected at BM29, ESRF on 2016 Apr 4
Conformational landscape of multidomain SMAD proteins Computational and Structural Biotechnology Journal (2021)
Gomes T, Martin-Malpartida P, Ruiz L, Aragón E, Cordeiro T, Macias M
RgGuinier 5.2 nm
Dmax 20.0 nm

SASDLC2 – Mothers against decapentaplegic homolog 2, SMAD2 phosphomimetic mutant 1.5 mg/ml

UniProt ID: Q15796 (1-463) Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant)
Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant) experimental SAS data
Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant) Kratky plot
Sample: Mothers against decapentaplegic homolog 2 (C-terminus phosphomimetic mutant), 53 kDa Homo sapiens protein
Buffer: 20 mM Tris, 150 mM NaCl, pH: 7.2
Experiment: SAXS data collected at BM29, ESRF on 2016 Apr 4
Conformational landscape of multidomain SMAD proteins Computational and Structural Biotechnology Journal (2021)
Gomes T, Martin-Malpartida P, Ruiz L, Aragón E, Cordeiro T, Macias M
RgGuinier 5.3 nm
Dmax 20.0 nm

SASDLD2 – Circular permutant Carboxypeptidase G2-CP-N89-K177A

UniProt ID: P06621 (89-415) Carboxypeptidase G2 (circular permutant CP-N89) K177A
Carboxypeptidase G2 (circular permutant CP-N89) K177A experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Carboxypeptidase G2 (circular permutant CP-N89) K177A dimer, 85 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 2017 Jun 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 14.0 nm
VolumePorod 105 nm3

SASDLE2 – Circular permutant Carboxypeptidase G2-CP-N89-K177A with methotrexate

UniProt ID: P06621 (89-415) Carboxypeptidase G2 (circular permutant CP-N89) K177A

UniProt ID: None (None-None) Methotrexate
Carboxypeptidase G2 (circular permutant CP-N89) K177AMethotrexate experimental SAS data
ROSETTA model
Sample: Carboxypeptidase G2 (circular permutant CP-N89) K177A dimer, 85 kDa Pseudomonas sp. (strain … protein
Methotrexate dimer, 1 kDa
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2017 Jun 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 12.7 nm
VolumePorod 104 nm3

SASDLF2 – Pro-CPG2-1 (pro-enzyme design 1 of circular permutant Carboxypeptidase G2-CP-N89-K177A)

UniProt ID: P06621 (89-415) Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1
Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 experimental SAS data
ROSETTA model
Sample: Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 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 3.6 nm
Dmax 12.4 nm
VolumePorod 125 nm3

SASDLG2 – Pro-CPG2-1 (pro-enzyme design 1 of circular permutant Carboxypeptidase G2-CP-N89-K177A) with Methotrexate

UniProt ID: None (None-None) Methotrexate

UniProt ID: P06621 (89-415) Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1
MethotrexatePro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 experimental SAS data
ROSETTA model
Sample: Methotrexate dimer, 1 kDa
Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 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 12.2 nm
VolumePorod 123 nm3

SASDLH2 – Pro-CPG2-2 (pro-enzyme design 2 of circular permutant Carboxypeptidase G2-CP-N89-K177A)

UniProt ID: P06621 (89-415) Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2
Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2 experimental SAS data
ROSETTA model
Sample: Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2 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 3.7 nm
Dmax 12.5 nm
VolumePorod 126 nm3

SASDLJ2 – Pro-CPG2-2 (pro-enzyme design 2 of circular permutant Carboxypeptidase G2-CP-N89-K177A) with Methotrexate

UniProt ID: None (None-None) Methotrexate

UniProt ID: P06621 (89-415) Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2
MethotrexatePro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2 experimental SAS data
ROSETTA model
Sample: Methotrexate dimer, 1 kDa
Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2 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 12.1 nm
VolumePorod 125 nm3