MolNFT v1 · #73653 · protein
Structure of 14-3-3 isoform sigma in complex with a C-RAF1 peptide and a stabilizing small molecule fragment
3O8I · 14-3-3 protein sigma: “Structure of 14-3-3 isoform sigma in complex with a C-RAF1 peptide and a stabilizing small molecule fragment”. X-ray diffraction, 1 ligand (M1T), 2 pockets (best druggability 0.65). MolNFT v1 #73653 on…
- PDB
- 3O8I
- Type
- protein
- Length
- 226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; 14-3-3 binding site peptide of RAF proto-oncogene…
- UniProt
- P31947, P04049
- Ligands
- M1T
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 218 | 83% helix, 0% strand | P31947 |
| B | 14-3-3 binding site peptide of RAF proto-oncogene SERINE/THREONINE-protein kinase | protein | 8 | 0% helix, 0% strand | P04049 |
Ligands and binding sites
- M1T · 6,6-dihydroxy-1-methoxyhexan-2-one · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.65 | 0.85 | 26 | M1T |
| 2 | 81 | 0.34 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 641 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 3O8I · Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing… · the same entry in another collection · chain A against A, TM-score 1.00
- P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P04049 · AlphaFold monomer V2.0 prediction for RAF proto-oncogene SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain B against A, TM-score 0.60
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 P31947
- Every structure of UniProt P04049
- Elsewhere: RCSB PDB 3O8I · PDBe 3O8I · UniProt P31947 · UniProt P04049
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