MolNFT v1 · #161046 · protein
Molecular switch for signal transduction: structural differences between active and inactive forms of protooncogenic RAS proteins
6Q21 · C-H-RAS P21 protein catalytic domain: “Molecular switch for signal transduction: structural differences between active and inactive forms of…”. X-ray diffraction, 2 ligands (GCP, MG), 10 pockets (best druggability 0.58). MolNFT v1…
- PDB
- 6Q21
- Type
- protein
- Length
- 684 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- C-H-RAS P21 protein catalytic domain
- UniProt
- P01112
- Ligands
- GCP, MG
- Pockets
- 10 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | C-H-RAS P21 protein catalytic domain | protein | 171 | 30% helix, 28% strand | P01112 |
Ligands and binding sites
- GCP · Phosphomethylphosphonic acid guanylate ester · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.58 | 0.82 | 30 | MG, GCP |
| 2 | 180 | 0.57 | 0.81 | 29 | MG, GCP |
| 3 | 135 | 0.52 | 0.81 | 27 | MG, GCP |
| 4 | 350 | 0.52 | 0.73 | 43 | empty |
| 5 | 189 | 0.49 | 0.76 | 26 | empty |
Interfaces
4 interfaces between chains.
- A–B · 511 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 417 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 411 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 353 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6Q21 · Molecular switch for signal transduction: structural differences between active and… · 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 P01112
- Elsewhere: RCSB PDB 6Q21 · PDBe 6Q21 · UniProt P01112
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