MolNFT v1 · #179784 · protein
Structure of a ternary KRAS(G13D)-sos complex
7KFZ · GTPase KRAS: “Structure of a ternary KRAS(G13D)-sos complex”. Electron microscopy, 2 ligands (GNP, MG), 7 pockets (best druggability 0.82). MolNFT v1 #179784 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KFZ
- Type
- protein
- Length
- 803 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase KRAS; Son of sevenless homolog 1
- EC
- 3.6.5.2
- UniProt
- P01116, Q07889
- Ligands
- GNP, MG
- Pockets
- 7 · best druggability 0.82
Structure
electron microscopy · 2 distinct chains · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | GTPase KRAS (EC 3.6.5.2) | protein | 168 | 40% helix, 24% strand | P01116 |
| B | Son of sevenless homolog 1 | protein | 467 | 59% helix, 4% strand | Q07889 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains C
- MG · Magnesium ion · metal · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.82 | 0.83 | 131 | GNP |
| 2 | 50 | 0.65 | 0.95 | 15 | empty |
| 3 | 218 | 0.52 | 0.77 | 28 | empty |
| 4 | 162 | 0.45 | 0.76 | 28 | empty |
| 5 | 119 | 0.42 | 0.76 | 23 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1758 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 1631 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7KFZ · Structure of a ternary KRas(G13D)-SOS complex · the same entry in another collection · chain A against A, TM-score 1.00
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 P01116
- Every structure of UniProt Q07889
- Elsewhere: RCSB PDB 7KFZ · PDBe 7KFZ · UniProt P01116 · UniProt Q07889
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