MolNFT v1 · #107944 · protein
The crystal structure of H-RAS and sos in complex with ligands
4URW · GTPase HRAS: “The crystal structure of H-RAS and sos in complex with ligands”. X-ray diffraction, 1 ligand (DXO), 11 pockets (best druggability 0.70). MolNFT v1 #107944 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4URW
- 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
- DXO
- Pockets
- 11 · 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 | 60% helix, 5% strand | Q07889 |
Ligands and binding sites
- DXO · 2-(2,6-dimethylphenyl)-4-(methylsulfanyl)-6-(piperazin-1-yl)-1,3,5-triazine · ligand · chains S
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.70 | 0.84 | 49 | empty |
| 2 | 57 | 0.65 | 0.94 | 15 | empty |
| 3 | 280 | 0.61 | 0.80 | 43 | empty |
| 4 | 239 | 0.51 | 0.75 | 36 | empty |
| 5 | 139 | 0.49 | 0.78 | 16 | DXO |
Interfaces
1 interface between chains.
- R–S · 1774 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 4URW · 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 0.96
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 4URW · PDBe 4URW · UniProt P01112 · UniProt Q07889
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