Son of sevenless protein
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 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
| 3 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain C； UniProt 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
| 4 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain D； UniProt 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
| 5 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain E； UniProt 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
| 6 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain F； UniProt 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
| 7 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain G； UniProt 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
| 8 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain H； UniProt 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
| 9 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain I； UniProt 1–191 | Fragment：N-terminal Histone domain Non-standard monomer：Yes (specific site not provided by mmCIF) | No other associated polymer | 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 |
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 1Q9C | 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 mutation/modification 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 |
| 1XD2 Crystal Structure of a ternary Ras:SOS:Ras*GDP complex Deposited 2004-09-03 | Different construct Different mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 |
| 2II0 Crystal Structure of catalytic domain of Son of sevenless (Rem-Cdc25) in the absence of Ras Deposited 2006-09-27 | Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
564–1049（486 aa）
Fragment：catalytic domain, RasGEF (residues 564-1049)
|
Not recorded | No recorded non-water small molecule |
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 |
| 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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
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 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
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 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
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 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
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 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
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 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
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 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
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 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
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 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
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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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
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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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）
|
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 107 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 1–191； UniProt 1–191 Author chain B； PDBConstruct 1–191； UniProt 1–191 Author chain C； PDBConstruct 1–191； UniProt 1–191 Author chain D； PDBConstruct 1–191； UniProt 1–191 Author chain E； PDBConstruct 1–191； UniProt 1–191 Author chain F； PDBConstruct 1–191； UniProt 1–191 Author chain G； PDBConstruct 1–191； UniProt 1–191 Author chain H； PDBConstruct 1–191； UniProt 1–191 Author chain I； PDBConstruct 1–191； UniProt 1–191 |
