Research workbench
The crystal structure of H-RAS and sos in complex with ligands
Analyse The crystal structure of H-RAS and sos in complex with ligands in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4US2
- Type
- protein
- Length
- 620 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase HRAS; Son of sevenless homolog 1
- UniProt
- P01112, Q07889
- Ligands
- L7S
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| R | GTPase HRAS | protein | 167 | 36% helix, 26% strand | P01112 |
| S | Son of sevenless homolog 1 | protein | 453 | 59% helix, 5% strand | Q07889 |
Ligands and binding sites
- L7S · 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide · ligand · chains R, S
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 426 | 0.70 | 0.81 | 59 | empty |
| 2 | 56 | 0.65 | 0.95 | 16 | empty |
| 3 | 262 | 0.65 | 0.82 | 41 | empty |
| 4 | 203 | 0.48 | 0.76 | 41 | L7S |
| 5 | 182 | 0.48 | 0.76 | 33 | empty |
Interfaces
1 interface between chains.
- R–S · 1765 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4US2 · The crystal structure of H-Ras and SOS in complex with ligands · the same entry in another collection · chain R against R, TM-score 1.00
- Q07889 · AlphaFold monomer V2.0 prediction for son of sevenless homolog 1 (Q07889) · a predicted model of the same protein · chain S against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P01112
- Every structure of UniProt Q07889
- Elsewhere: RCSB PDB 4US2 · PDBe 4US2 · UniProt P01112 · UniProt Q07889
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