MolNFT v1 · #62145 · protein
Structure of 14-3-3 in complex with the differentiation-inducing agent cotylenin a
3E6Y · 14-3-3-like protein C: “Structure of 14-3-3 in complex with the differentiation-inducing agent cotylenin a”. X-ray diffraction, 2 ligands (CW1, CL), 6 pockets (best druggability 0.57). MolNFT v1 #62145 on GenesisL1: 3D structure…
- PDB
- 3E6Y
- Type
- protein
- Length
- 476 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3-like protein C; H+-ATPase phosphopeptide qsyptv
- UniProt
- P93343
- Ligands
- CW1, CL
- Pockets
- 6 · best druggability 0.57
Structure
x-ray diffraction · 3 distinct chains · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3-like protein C | protein | 234 | 83% helix, 0% strand | P93343 |
| B | 14-3-3-like protein C | protein | 232 | 81% helix, 0% strand | P93343 |
| C, D | H+-ATPase phosphopeptide qsyptv | protein | 5 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 208 | 0.57 | 0.79 | 22 | CW1 |
| 2 | 199 | 0.55 | 0.79 | 24 | CW1 |
| 3 | 279 | 0.51 | 0.75 | 27 | empty |
| 4 | 78 | 0.43 | 0.80 | 14 | empty |
| 5 | 74 | 0.36 | 0.77 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1128 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 529 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 509 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 3E6Y · Structure of 14-3-3 in complex with the differentiation-inducing agent Cotylenin A · the same entry in another collection · chain A against A, TM-score 1.00
- P93343 · AlphaFold monomer V2.0 prediction for 14-3-3-like protein C (P93343) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P93343
- Elsewhere: RCSB PDB 3E6Y · PDBe 3E6Y · UniProt P93343
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