MolNFT v1 · #107943 · protein
The crystal structure of H-RAS and sos in complex with ligands
4URV · GTPase HRAS: “The crystal structure of H-RAS and sos in complex with ligands”. X-ray diffraction, 1 ligand (UMK), 8 pockets (best druggability 0.71). MolNFT v1 #107943 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4URV
- Type
- protein
- Length
- 617 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
- UMK
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| R | GTPase HRAS | protein | 167 | 37% helix, 26% strand | P01112 |
| S | Son of sevenless homolog 1 | protein | 450 | 60% helix, 5% strand | Q07889 |
Ligands and binding sites
- UMK · 4-(4-bromophenyl)piperidin-4-ol · ligand · chains S
- FMT · Formic acid · additive · 2 copies · 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 | 327 | 0.71 | 0.84 | 49 | empty |
| 2 | 55 | 0.65 | 0.95 | 14 | empty |
| 3 | 298 | 0.63 | 0.80 | 40 | FMT |
| 4 | 209 | 0.48 | 0.75 | 36 | empty |
| 5 | 167 | 0.45 | 0.75 | 30 | empty |
Interfaces
1 interface between chains.
- R–S · 1743 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 4URV · 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 4URV · PDBe 4URV · UniProt P01112 · UniProt Q07889
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