MolNFT v1 · #145645 · protein
Crystal structure of gmppnp-bound G12R mutant of human KRAS4B
6CU6 · GTPase KRAS: “Crystal structure of gmppnp-bound G12R mutant of human KRAS4B”. X-ray diffraction, 2 ligands (GNP, MG), 4 pockets (best druggability 0.69). MolNFT v1 #145645 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6CU6
- Type
- protein
- Length
- 486 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase KRAS
- UniProt
- P01116
- Ligands
- GNP, MG
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase KRAS | protein | 167 | 36% helix, 28% strand | P01116 |
| B | GTPase KRAS | protein | 168 | 38% helix, 27% strand | P01116 |
| C | GTPase KRAS | protein | 151 | 38% helix, 28% strand | P01116 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 504 | 0.69 | 0.79 | 59 | MG, GOL, GNP |
| 2 | 443 | 0.65 | 0.78 | 48 | MG, GNP |
| 3 | 301 | 0.64 | 0.81 | 42 | empty |
| 4 | 107 | 0.43 | 0.78 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 550 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 349 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 312 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6CU6 · Crystal structure of GMPPNP-bound G12R mutant of human KRAS4b · 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 6CU6 · PDBe 6CU6 · UniProt P01116
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.