MolNFT v1 · #104784 · protein
Crystal structure of a GDP-bound G12R oncogenic mutant of human GTPase KRAS
4QL3: “Crystal structure of a GDP-bound G12R oncogenic mutant of human GTPase KRAS”. X-ray diffraction, 2 ligands (GDP, MG), 1 pocket (best druggability 0.54). MolNFT v1 #104784 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QL3
- Type
- protein
- Length
- 170 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase KRAS
- EC
- 3.6.5.2
- UniProt
- P01116
- Ligands
- GDP, MG
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase KRAS (EC 3.6.5.2) | protein | 170 | 38% helix, 24% strand | P01116 |
Ligands and binding sites
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 | 197 | 0.54 | 0.79 | 40 | GDP, MG |
Compared structures
- 4QL3 · Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas · 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 4QL3 · PDBe 4QL3 · UniProt P01116
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