Browse by MODEL: Hybrid

SASDNJ6 – full-length MERS CoV N-protein complexed with 5-(2-methoxyethoxy)-1H-indole (P4-4 compound)

Nucleoprotein5-(2-methoxyethoxy)-1H-indole experimental SAS data
CORAL model
Sample: Nucleoprotein tetramer, 183 kDa Middle East respiratory … protein
5-(2-methoxyethoxy)-1H-indole tetramer, 1 kDa
Buffer: 50 mM Tris-HCl, 150 mM NaCl, pH: 8.5
Experiment: SAXS data collected at 23A, Taiwan Photon Source, NSRRC on 2019 Nov 26
Targeting the N-Terminus Domain of the Coronavirus Nucleocapsid Protein Induces Abnormal Oligomerization via Allosteric Modulation Frontiers in Molecular Biosciences 9 (2022)
Hsu J, Chen J, Lin S, Hong J, Chen Y, Jeng U, Luo S, Hou M
RgGuinier 6.0 nm
Dmax 18.5 nm
VolumePorod 500 nm3

SASDHL8 – Aquifex aeolicus McoA metaloxidase evolved variant (2F4)

McoA evolved variant 2F4 (Periplasmic cell division protein (SufI)) experimental SAS data
OTHER model
Sample: McoA evolved variant 2F4 (Periplasmic cell division protein (SufI)) monomer, 55 kDa Aquifex aeolicus VF5 protein
Buffer: 50 mM Tris-HCl, 150 mM NaCl, 2 mM TCEP, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2017 Sep 25
Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase ACS Catalysis :5022-5035 (2022)
Brissos V, Borges P, Núñez-Franco R, Lucas M, Frazão C, Monza E, Masgrau L, Cordeiro T, Martins L
RgGuinier 2.3 nm
Dmax 6.8 nm
VolumePorod 78 nm3

SASDHM8 – Aquifex aeolicus McoA metaloxidase ∆328-352 evolved variant (2F4∆328-352)

Aquifex aeolicus McoA metaloxidase ∆328-352 evolved variant (2F4∆328-352) experimental SAS data
DAMMIF model
Sample: Aquifex aeolicus McoA metaloxidase ∆328-352 evolved variant (2F4∆328-352) monomer, 53 kDa Aquifex aeolicus protein
Buffer: 50 mM Tris-HCl, 150 mM NaCl, 2 mM TCEP, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 Jul 18
Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase ACS Catalysis :5022-5035 (2022)
Brissos V, Borges P, Núñez-Franco R, Lucas M, Frazão C, Monza E, Masgrau L, Cordeiro T, Martins L
RgGuinier 2.2 nm
Dmax 6.6 nm
VolumePorod 74 nm3

SASDLD2 – Circular permutant Carboxypeptidase G2-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

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)

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

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)

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

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

SASDLK2 – Pro-CPG2-3 (pro-enzyme design 3 of circular permutant Carboxypeptidase G2-CP-N89-K177A)

Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 3 experimental SAS data
ROSETTA model
Sample: 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 3.7 nm
Dmax 13.0 nm
VolumePorod 127 nm3