MolNFT v1 · #186120 · protein
KRASG12C in complex with GDP and compound 2
7R0N · GTPase KRAS: “KRASG12C in complex with GDP and compound 2”. X-ray diffraction, 3 ligands (H40, GDP, MG), 1 pocket (best druggability 0.62). MolNFT v1 #186120 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7R0N
- Type
- protein
- Length
- 167 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase KRAS
- UniProt
- P01116
- Ligands
- H40, GDP, MG
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase KRAS | protein | 167 | 37% helix, 26% strand | P01116 |
Ligands and binding sites
- H40 · ~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide · ligand · chains A
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.62 | 0.80 | 42 | MG, H40, GDP |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7R0N · KRasG12C in complex with GDP and compound 2 · 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
- Elsewhere: RCSB PDB 7R0N · PDBe 7R0N · UniProt P01116
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