Research workbench
KRAS-169 Q61H gppnhp + ch-2
Analyse KRAS-169 Q61H gppnhp + ch-2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GQX
- Type
- protein
- Length
- 985 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase KRAS
- UniProt
- P01116
- Ligands
- GNP, F8K, MG
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTPase KRAS | protein | 171 | 36% helix, 26% strand | P01116 |
| B | GTPase KRAS | protein | 169 | 36% helix, 26% strand | P01116 |
| C | GTPase KRAS | protein | 167 | 37% helix, 26% strand | P01116 |
| D | GTPase KRAS | protein | 158 | 37% helix, 26% strand | P01116 |
| E | GTPase KRAS | protein | 159 | 38% helix, 26% strand | P01116 |
| F | GTPase KRAS | protein | 161 | 38% helix, 26% strand | P01116 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 6 copies · chains A, B, C, D, E, F
- F8K · [4-[[2-methoxy-4-(3-methoxyphenyl) phenyl]amino]phenyl]methyl-dimethyl-azanium · ligand · 3 copies · chains A, C, B, E
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 788 | 0.81 | 0.85 | 110 | empty |
| 2 | 1080 | 0.81 | 0.82 | 134 | empty |
| 3 | 138 | 0.61 | 0.85 | 28 | MG, GNP |
| 4 | 221 | 0.57 | 0.79 | 33 | MG, GNP |
| 5 | 138 | 0.56 | 0.83 | 30 | MG, GNP |
Interfaces
12 interfaces between chains.
- A–C · 655 Ų buried · 9 hydrogen bonds · protein-protein
- B–E · 599 Ų buried · 8 hydrogen bonds · protein-protein
- D–F · 581 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 379 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 367 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6GQX · KRAS-169 Q61H gppnhp + ch-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 6GQX · PDBe 6GQX · UniProt P01116
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.