MolNFT v1 · #135990 · protein
Wild-type K-RAS(GNP)/R11.1.6 complex
5UFE · GTPase KRAS: “Wild-type K-RAS(GNP)/R11.1.6 complex”. X-ray diffraction, 6 ligands (GNP, CD, CA), 2 pockets (best druggability 0.47). MolNFT v1 #135990 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5UFE
- Type
- protein
- Length
- 220 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase KRAS; R11.1.6
- UniProt
- P01116
- Ligands
- GNP, CD, CA, CO, MG, CL
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase KRAS | protein | 166 | 37% helix, 25% strand | P01116 |
| B | R11.1.6 | protein | 54 | 15% helix, 50% strand | — |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
- CD · Cadmium ion · metal · 4 copies · chains A, B
- CA · Calcium ion · metal · 3 copies · chains A
- CO · Cobalt (II) ion · metal · 3 copies · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.47 | 0.82 | 15 | empty |
| 2 | 133 | 0.42 | 0.75 | 26 | GNP, MG |
Interfaces
1 interface between chains.
- A–B · 733 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5UFE · Wild-type K-Ras(GNP)/R11.1.6 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
- Elsewhere: RCSB PDB 5UFE · PDBe 5UFE · UniProt P01116
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