Son of sevenless homolog 1
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 564–1049 | Fragment：catalytic domain, RasGEF (residues 564-1049) | No other associated polymer | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 0.2M ammonium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | Resolution 2.02 Å R-free 0.248 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 2II0 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1AWE HUMAN SOS1 PLECKSTRIN HOMOLOGY (PH) DOMAIN, NMR, 20 STRUCTURES Deposited 1997-10-01 | Different construct Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
422–551（130 aa）
Fragment：PLECKSTRIN HOMOLOG (PH) DOMAIN
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 150 mM KCL；Pressure 1
|
Resolution not provided |
| 1BKD COMPLEX OF HUMAN H-RAS WITH HUMAN SOS-1 Deposited 1998-07-06 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain S
568–1044（477 aa）
Fragment：RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 2.80 Å R-free 0.281 |
| 1DBH DBL AND PLECKSTRIN HOMOLOGY DOMAINS FROM HSOS1 Deposited 1998-12-17 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
198–551（354 aa）
Fragment：DBL AND PLECKSTRIN HOMOLOGY DOMAINS
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；5 MG/ML PROTEIN 100 MM BIS-TRIS PH 6.5 1-3% PEG6000 1 MM DTT
|
Resolution 2.30 Å R-free 0.269 |
| 1NVU Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR domain
|
Not recorded | MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 5 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.211 |
| 1NVU Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric |
Chain S
566–1046（481 aa）
Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR domain
|
Not recorded | MG MAGNESIUM ION × 4 PO4 PHOSPHATE ION × 20 GTP GUANOSINE-5'-TRIPHOSPHATE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.211 |
| 1NVV Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 5 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.18 Å R-free 0.241 |
| 1NVV Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric |
Chain S
566–1046（481 aa）
Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | MG MAGNESIUM ION × 8 PO4 PHOSPHATE ION × 40 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.18 Å R-free 0.241 |
| 1NVV Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric |
Chain S
566–1046（481 aa）
Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | MG MAGNESIUM ION × 4 PO4 PHOSPHATE ION × 20 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.18 Å R-free 0.241 |
| 1NVV Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain S
566–1046（481 aa）
Fragment：residues 566-1046, including RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | MG MAGNESIUM ION × 2 PO4 PHOSPHATE ION × 10 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.18 Å R-free 0.241 |
| 1NVW Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
Fragment：RESIDUES 566-1046, INCLUDING RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 7 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.246 |
| 1NVW Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric |
Chain S
566–1046（481 aa）
Fragment：RESIDUES 566-1046, INCLUDING RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | MG MAGNESIUM ION × 8 PO4 PHOSPHATE ION × 56 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.246 |
| 1NVW Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric |
Chain S
566–1046（481 aa）
Fragment：RESIDUES 566-1046, INCLUDING RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | MG MAGNESIUM ION × 4 PO4 PHOSPHATE ION × 28 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.2-1.5 M phosphate, 100 mM Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.70 Å R-free 0.246 |
| 1NVX Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS Deposited 2003-02-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
Fragment：residues 566-10466, including the RAS GUANINE NUCLEOTIDE EXCHANGE FACTOR FRAGMENT
|
Not recorded | MG MAGNESIUM ION × 1 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；2-8% PEG 4000, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.20 Å R-free 0.261 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain H
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1Q9C Crystal Structure of the Histone domain of Son of Sevenless Deposited 2003-08-24 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain I
1–191（191 aa）
Fragment：N-terminal Histone domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG3350, L-proline, magnesium acetate, ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.21 Å R-free 0.292 |
| 1XD2 Crystal Structure of a ternary Ras:SOS:Ras*GDP complex Deposited 2004-09-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain C
566–1049（484 aa）
Fragment：residues 566-1049, including Ras guanine nucleotide exchange factor fragment
|
Not recorded | MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 4 GDP GUANOSINE-5'-DIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Hepes, Na/K phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.245 |
| 1XD4 Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) Deposited 2004-09-03 | Different construct Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
198–1049（852 aa）
Fragment：residues 198-1049
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG200, ethylene glycol, strontium chloride, HEPES, sucrose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.64 Å R-free 0.371 |
| 1XD4 Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) Deposited 2004-09-03 | Different construct Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
198–1049（852 aa）
Fragment：residues 198-1049
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG200, ethylene glycol, strontium chloride, HEPES, sucrose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.64 Å R-free 0.371 |
| 1XDV Experimentally Phased Structure of Human the Son of Sevenless protein at 4.1 Ang. Deposited 2004-09-08 | Different construct Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
198–1044（847 aa）
Fragment：residues 198-1044
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；298 K；PEG 4000, HEPES, pH 7.5, VAPOR DIFFUSION, temperature 298K
|
Resolution 4.10 Å R-free 0.449 |
| 1XDV Experimentally Phased Structure of Human the Son of Sevenless protein at 4.1 Ang. Deposited 2004-09-08 | Different construct Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
198–1044（847 aa）
Fragment：residues 198-1044
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；298 K；PEG 4000, HEPES, pH 7.5, VAPOR DIFFUSION, temperature 298K
|
Resolution 4.10 Å R-free 0.449 |
| 3KSY Crystal structure of the Histone domain, DH-PH unit, and catalytic unit of the Ras activator Son of Sevenless (SOS) Deposited 2009-11-24 | Different construct Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–1049（1049 aa）
Fragment：SOS-HDPC, (UNP residues 1-1049)
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；Crystals of SOS-HDPC (residues 1-1049) were grown at room temperature using hanging-drop vapor diffusion by mixing equal volumes of protein (20 mg/ml) and reservoir solutions (140-190 mM sodium thiocyanate, 14%-16% PEG 3350, and 0.1 M SPG (Succinic acid, Phosphate, Glycine) buffer [pH 6.0 or 6.5]). , VAPOR DIFFUSION, HANGING DROP
|
Resolution 3.18 Å R-free 0.312 |
| 3KSY Crystal structure of the Histone domain, DH-PH unit, and catalytic unit of the Ras activator Son of Sevenless (SOS) Deposited 2009-11-24 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–1049（1049 aa）
Fragment：SOS-HDPC, (UNP residues 1-1049)
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；Crystals of SOS-HDPC (residues 1-1049) were grown at room temperature using hanging-drop vapor diffusion by mixing equal volumes of protein (20 mg/ml) and reservoir solutions (140-190 mM sodium thiocyanate, 14%-16% PEG 3350, and 0.1 M SPG (Succinic acid, Phosphate, Glycine) buffer [pH 6.0 or 6.5]). , VAPOR DIFFUSION, HANGING DROP
|
Resolution 3.18 Å R-free 0.312 |
| 4NYI Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange Deposited 2013-12-10 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 2PX N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.96 Å R-free 0.208 |
| 4NYJ Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange Deposited 2013-12-10 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 2PZ N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.85 Å R-free 0.187 |
| 4NYM Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange Deposited 2013-12-10 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 RND N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；0.1 M sodium acetate, 1.8 M sodium formate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.55 Å R-free 0.214 |
| 4URU The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：UNP RESIDUES 564-1049
|
Not recorded | 6W2 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
3.2M SODIUM FORMATE, 2% DMSO
|
Resolution 2.83 Å R-free 0.237 |
| 4URV The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：UNP RESIDUES 564-1049
|
Not recorded | FMT FORMIC ACID × 2 UMK 4-(4-BROMOPHENYL)PIPERIDIN-4-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
3.2M SODIUM FORMATE, 2% DMSO
|
Resolution 2.58 Å R-free 0.232 |
| 4URW The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：UNP RESIDUES 564-1049
|
Not recorded | DXO 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
3.2M SODIUM FORMATE, 2% DMSO
|
Resolution 2.76 Å R-free 0.230 |
| 4URX The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：RESIDUES 564-1049
|
Not recorded | FK1 6-bromo-1H-indole × 1 HXY 1-(4-bromobenzyl)pyrrolidine × 1 FMT FORMIC ACID × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.49 Å R-free 0.227 |
| 4URY The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：RESIDUES 564-1049
|
Not recorded | RV1 N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.47 Å R-free 0.229 |
| 4URZ The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：RESIDUES 564-1049
|
Not recorded | VJP 1-[(4-aminophenyl)sulfonyl]piperidin-2-one × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.24 Å R-free 0.212 |
| 4US0 The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：UNP RESIDUES 564-1049
|
Not recorded | NEN 1-ETHYL-PYRROLIDINE-2,5-DIONE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.17 Å R-free 0.212 |
| 4US1 The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：UNP RESIDUES 564-1049
|
Not recorded | L71 (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.65 Å R-free 0.231 |
| 4US2 The crystal structure of H-Ras and SOS in complex with ligands Deposited 2014-07-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
Fragment：UNP RESIDUES 564-1049
|
Not recorded | L7S 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.48 Å R-free 0.228 |
| 5OVD Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in new crystal form Deposited 2017-08-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
560–1049（490 aa）
|
Mutation：Q560G, E561A, E562M, K563A | EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 23% (v/v) ethylenglycol. No cryo required as grown from ethylenglycol as precipitant
|
Resolution 1.90 Å R-free 0.240 |
| 5OVE Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 1 Deposited 2017-08-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
560–1049（490 aa）
|
Mutation：Q560G, E561A, E562M, K563A | EDO 1,2-ETHANEDIOL × 3 AXE 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 25% (v/v) ethylenglycol. Protein incubated with 2 MILLIMOLAR LIGAND prior to crystallization.
|
Resolution 1.85 Å R-free 0.323 |
| 5OVF Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 17 Deposited 2017-08-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
560–1049（490 aa）
|
Mutation：Q560G, E561A, E562M, K563A | AWT 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 27% (v/v) ethylenglycol. Protein incubated with 2 MILLIMOLAR LIGAND prior to crystallization.
|
Resolution 2.01 Å R-free 0.285 |
| 5OVG Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18 Deposited 2017-08-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
560–1049（490 aa）
|
Mutation：Q560G, E561A, E562M, K563A | AWZ ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 27% (v/v) ethylenglycol. Protein incubated with 2 MILLIMOLAR LIGAND prior to crystallization.
|
Resolution 2.30 Å R-free 0.297 |
| 5OVH Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 21 Deposited 2017-08-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
560–1049（490 aa）
|
Mutation：Q560G, E561A, E562M, K563A | AWW [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 23% (v/v) ethylenglycol. Protein incubated with 5 MILLIMOLAR LIGAND overnight at 277K prior to crystallization.
|
Resolution 2.30 Å R-free 0.330 |
| 5OVI Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor BAY-293 (compound 23) Deposited 2017-08-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
560–1049（490 aa）
|
Mutation：Q560G, E561A, E562M, K563A | AXH 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 0.1 M TRIS pH 8.5, 25 % (w/v) PEG 3350. CRYO BUFFER WAS RESERVOIR SUPPLEMENTED WITH 2 MILLIMOLAR INHIBITOR (FROM 100 MILLIMOLAR DMSO STOCK) AND 15 % (v/v) ETHYLENE GLYCOL
|
Resolution 2.20 Å R-free 0.249 |
| 5WFO Ligand-bound Ras:SOS:Ras complex Deposited 2017-07-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain N
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 5UU 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.99 Å R-free 0.188 |
| 5WFP Ligand-bound Ras:SOS:Ras complex Deposited 2017-07-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain N
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 5UX 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.08 Å R-free 0.203 |
| 5WFQ Ligand-bound Ras:SOS:Ras complex Deposited 2017-07-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain N
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 5UV 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.26 Å R-free 0.196 |
| 5WFR Ligand-bound Ras:SOS:Ras complex Deposited 2017-07-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain N
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 5UW ~{N}-(3,3-diphenylpropyl)piperidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.46 Å R-free 0.194 |
| 6BVI Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EC4 6-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.75 Å R-free 0.169 |
| 6BVJ Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EAS 5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.75 Å R-free 0.168 |
| 6BVK Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EAV N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-L-tryptophanamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.80 Å R-free 0.179 |
| 6BVL Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EBY N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-L-tryptophanamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.75 Å R-free 0.171 |
| 6BVM Ras:SOS:Ras in complex with a small molecule activator Deposited 2017-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 EBV (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.80 Å R-free 0.178 |
| 6CUO Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-03-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 FFS N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.73 Å R-free 0.178 |
| 6CUP Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-03-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FFV N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.83 Å R-free 0.174 |
| 6CUR Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-03-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FFY N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.73 Å R-free 0.176 |
| 6D55 Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FWA 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.68 Å R-free 0.178 |
| 6D56 Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FVM 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.68 Å R-free 0.171 |
| 6D59 Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FVJ 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 1；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.70 Å R-free 0.173 |
| 6D5E Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 4 FVG 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 3 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.75 Å R-free 0.174 |
| 6D5G Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 CL CHLORIDE ION × 3 FVD 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole × 1 GOL GLYCEROL × 3 BME BETA-MERCAPTOETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.92 Å R-free 0.172 |
| 6D5H Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 3 FV7 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole × 1 FMT FORMIC ACID × 5 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.80 Å R-free 0.189 |
| 6D5J Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FV4 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.75 Å R-free 0.175 |
| 6D5L Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 FW7 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.70 Å R-free 0.175 |
| 6D5M Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 FW4 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 2.08 Å R-free 0.194 |
| 6D5V Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 FVY 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 2.04 Å R-free 0.186 |
| 6D5W Ras:SOS:Ras in complex with a small molecule activator Deposited 2018-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
566–1046（481 aa）
|
Not recorded | MG MAGNESIUM ION × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 FVV 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 2.48 Å R-free 0.228 |
| 6EPL Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) Deposited 2017-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
563–1049（487 aa）
|
Mutation：K563G | GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Drops made from KRAS SOS1 complex (11.3 mg/ml in 5 mM Tris pH 7.5, 100 mM NaCl) and reservoir solution (3.65 M sodium Formate). No cryo protectant added.
|
Resolution 2.55 Å R-free 0.224 |
| 6EPM Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F1 Deposited 2017-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
563–1049（487 aa）
|
Mutation：K563G | GOL GLYCEROL × 1 BQ5 (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for one day using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
|
Resolution 2.50 Å R-free 0.211 |
| 6EPN Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) and fragment screening hit F2 Deposited 2017-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
563–1049（487 aa）
|
Mutation：G563K | GOL GLYCEROL × 1 BQ2 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for 2.5 days using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment.
|
Resolution 2.50 Å R-free 0.218 |
| 6EPO RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 Deposited 2017-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
563–1049（487 aa）
|
Mutation：K563G | GOL GLYCEROL × 1 BPW 3-(4-chlorophenyl)propan-1-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for two days using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
|
Resolution 2.40 Å R-free 0.214 |
| 6EPP RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4 Deposited 2017-10-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
563–1049（487 aa）
|
Mutation：K563G | GOL GLYCEROL × 1 BOQ ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；Drops made from KRAS SOS1 complex (14.4 mg/ml in 5 mM Tris pH 7.5, 100mM NaCl) and reservoir solution (2.9 to 3.4 M sodium formate, 100 mM MES pH 6.5). Fragment soaked at 25 mM for three days at 277 K using a 500 mM fragment stock solution in DMSO. Cryo buffer 0.1 M MES pH 6.5, 3.5 M sodium formate, 20 glycerol, 25 mM fragment
|
Resolution 2.40 Å R-free 0.201 |
| 6F08 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1) Deposited 2017-11-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain D
1155–1167（13 aa）
Chain Q
1155–1167（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 1PE PENTAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.2, 36% (v/v) PEG 300
|
Resolution 1.90 Å R-free 0.267 |
| 6F08 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1) Deposited 2017-11-17 | Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain K
1155–1167（13 aa）
Chain N
1155–1167（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298.15 K；0.1 M phosphate citrate pH 4.2, 36% (v/v) PEG 300
|
Resolution 1.90 Å R-free 0.267 |
| 6SCM SOS1 in Complex with Inhibitor BI-3406 Deposited 2019-07-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 2 EDO 1,2-ETHANEDIOL × 5 L7H ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；13% PEG8000, 0.1M Imidazole pH=8.0
|
Resolution 1.87 Å R-free 0.220 |
| 6SFR SOS1 in Complex with Inhibitor BI-68BS Deposited 2019-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 2 LBK 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；277 K；0.1 M Imidazole, 3% PEG8000
|
Resolution 1.92 Å R-free 0.245 |
| 6SFR SOS1 in Complex with Inhibitor BI-68BS Deposited 2019-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 2 LBK 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.4；277 K；0.1 M Imidazole, 3% PEG8000
|
Resolution 1.92 Å R-free 0.245 |
| 6V94 Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QTV 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.80 Å R-free 0.172 |
| 6V9F Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 QTS 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.85 Å R-free 0.171 |
| 6V9J Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QTM 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.76 Å R-free 0.166 |
| 6V9L Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 1 QTJ 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.70 Å R-free 0.175 |
| 6V9M Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QTG 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide × 1 FMT FORMIC ACID × 6 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.65 Å R-free 0.180 |
| 6V9N Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 FMT FORMIC ACID × 6 QTD 4-phenoxybenzene-1-sulfonamide × 1 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.65 Å R-free 0.177 |
| 6V9O Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods Deposited 2019-12-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
566–1046（481 aa）
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 QTA 3-(phenylsulfonyl)benzene-1-sulfonamide × 2 FMT FORMIC ACID × 7 GOL GLYCEROL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M sodium acetate, 2.0 M sodium formate, pH 4.0
|
Resolution 1.80 Å R-free 0.169 |
| 6Y44 14-3-3 Sigma in complex with phosphorylated SOS1 peptide Deposited 2020-02-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain P
1155–1167（13 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 6 CL CHLORIDE ION × 8 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME
|
Resolution 1.71 Å R-free 0.202 |
| 7AVI Crystal structure of SOS1 in complex with compound 2 Deposited 2020-11-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | S2Q 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 4000, 60 mM Tris, 2 mM DTT
|
Resolution 1.93 Å R-free 0.245 |
| 7AVI Crystal structure of SOS1 in complex with compound 2 Deposited 2020-11-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
564–1049（486 aa）
|
Not recorded | S2Q 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 4000, 60 mM Tris, 2 mM DTT
|
Resolution 1.93 Å R-free 0.245 |
| 7AVL Crystal structure of SOS1 in complex with compound 4 Deposited 2020-11-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 4 S2Z 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 60 mM Tris, 2mM DTT
|
Resolution 1.72 Å R-free 0.269 |
| 7AVL Crystal structure of SOS1 in complex with compound 4 Deposited 2020-11-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 3 S2Z 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 60 mM Tris, 2mM DTT
|
Resolution 1.72 Å R-free 0.269 |
| 7AVS Crystal structure of SOS1 in complex with compound 6 Deposited 2020-11-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 2 S3Q 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
|
Resolution 2.28 Å R-free 0.259 |
| 7AVS Crystal structure of SOS1 in complex with compound 6 Deposited 2020-11-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 2 S3Q 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
|
Resolution 2.28 Å R-free 0.259 |
| 7AVT Crystal structure of SOS1 in complex with compound 7 Deposited 2020-11-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 2 S3T ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
|
Resolution 1.88 Å R-free 0.252 |
| 7AVT Crystal structure of SOS1 in complex with compound 7 Deposited 2020-11-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 2 S3T ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
|
Resolution 1.88 Å R-free 0.252 |
| 7AVU Crystal structure of SOS1 in complex with compound 8 Deposited 2020-11-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 1 S3Z ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
|
Resolution 2.10 Å R-free 0.266 |
| 7AVU Crystal structure of SOS1 in complex with compound 8 Deposited 2020-11-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
564–1049（486 aa）
|
Not recorded | S3Z ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
|
Resolution 2.10 Å R-free 0.266 |
| 7AVV Crystal structure of SOS1 in complex with compound 9 Deposited 2020-11-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | IMD IMIDAZOLE × 1 S2W ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；6-11 % PEG 8000, 2 mM DTT, 60 mM Tris
|
Resolution 2.12 Å R-free 0.240 |
| 7KFZ Structure of a ternary KRas(G13D)-SOS complex Deposited 2020-10-15 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
564–1049（486 aa）
Fragment：UNP residues 564-1049
|
Not recorded | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.47 Å |
| 7UKR Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction Deposited 2022-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | NKF 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；281 K；10% PEG 8000, 10% Ethanol, 100 mM Tris pH 8 at 8 C
|
Resolution 2.50 Å R-free 0.282 |
| 7UKR Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction Deposited 2022-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
564–1049（486 aa）
|
Not recorded | NKF 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；281 K；10% PEG 8000, 10% Ethanol, 100 mM Tris pH 8 at 8 C
|
Resolution 2.50 Å R-free 0.282 |
| 7UKS Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15) Deposited 2022-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | NL0 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；281 K；5-15% PEG 8000, 5-15% Ethanol, 100 mM Tris pH 8
|
Resolution 2.29 Å R-free 0.275 |
| 8BE2 Crystal structure of SOS1-Nanobody77 Deposited 2022-10-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain S
564–1049（486 aa）
|
Not recorded | SO4 SULFATE ION × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulfate 1.5 M, Tris 0.1 M pH 8.5
|
Resolution 1.90 Å R-free 0.211 |
| 8BE4 Crystal structure of SOS1-KRasG12V-Nanobody14 Deposited 2022-10-21 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
564–1049（486 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；14% PEG 1000, Tris 0.1 M pH 7.0
|
Resolution 1.90 Å R-free 0.199 |
| 8BE5 Crystal structure of SOS1-KRasG12V-Nanobody22-Nanobody75 Deposited 2022-10-21 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain AAZA
564–1049（486 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；10% PEG 4000, 0.1 M sodium citrate, pH 5.5 and 0.2 M sodium acetate
|
Resolution 3.13 Å R-free 0.278 |
| 8BE6 Crystal structure of SOS1-HRas-peptidomimetic2 Deposited 2022-10-21 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
564–1049（486 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
|
Resolution 2.90 Å R-free 0.273 |
| 8BE7 Crystal structure of SOS1-HRas-peptidomimetic3 Deposited 2022-10-21 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
564–1049（486 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
|
Resolution 3.00 Å R-free 0.267 |
| 8BE8 Crystal structure of SOS1-HRas-peptidomimetic4 Deposited 2022-10-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
564–1049（486 aa）
|
Not recorded | FMT FORMIC ACID × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
|
Resolution 2.40 Å R-free 0.237 |
| 8BE9 Crystal structure of SOS1-HRas-peptidomimetic5 Deposited 2022-10-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
564–1049（486 aa）
|
Not recorded | CL CHLORIDE ION × 3 FMT FORMIC ACID × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
|
Resolution 2.51 Å R-free 0.229 |
| 8BEA Crystal structure of SOS1-HRas-peptidomimetic10 Deposited 2022-10-21 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain S
564–1049（486 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；sodium formate 3 M, Tris 100mM pH 8.0
|
Resolution 2.47 Å R-free 0.233 |
| 8XJJ Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 Deposited 2023-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1149（586 aa）
|
Not recorded | A1LVJ 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；0.1 M imidazole 8.0, 6% PEG 8000
|
Resolution 2.10 Å R-free 0.264 |
| 9MJL SOS1 IN COMPLEX WITH AN INHIBITOR Deposited 2024-12-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | A1BME 6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M imidazole, 8-18% PEG 8000
|
Resolution 2.62 Å R-free 0.321 |
| 9MJM SOS1 IN COMPLEX WITH AN INHIBITOR Deposited 2024-12-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
|
Not recorded | A1BMD 2-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-3-(2-oxaspiro[3.3]heptan-6-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one × 1 EDO 1,2-ETHANEDIOL × 6 IMD IMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M imidazole, 8% - 18% PEG 8000
|
Resolution 2.17 Å R-free 0.265 |
| 9QFF Structure of SOS1 in complex with compound 3 Deposited 2025-03-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
560–1049（490 aa）
|
Not recorded | A1I6H 3-[[3-(trifluoromethyl)phenyl]methyl]-2~{H}-1$l^{6},2,4-benzothiadiazine 1,1-dioxide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；10-20% (w/v) PEG3350, 5% (v/v) ethanol and 100mM PCTP pH 8.0
|
Resolution 1.88 Å R-free 0.304 |
90 other PDB entries and 115 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | SOS1_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 5–490； UniProt 564–1049 |
