MolNFT v1 · #89699 · protein
Structure of the 14-3-3/PMA2 complex stabilized by a pyrazole derivative
4DX0 · 14-3-3-like protein E: “Structure of the 14-3-3/PMA2 complex stabilized by a pyrazole derivative”. X-ray diffraction, 1 ligand (0MT), 2 pockets (best druggability 0.64). MolNFT v1 #89699 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4DX0
- Type
- protein
- Length
- 260 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3-like protein E; N.PLUMBAGINIFOLIA H+-translocating ATPase mRNA
- EC
- 3.6.3.6
- UniProt
- O49997, Q42932
- Ligands
- 0MT
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3-like protein E | protein | 229 | 81% helix, 0% strand | O49997 |
| P | N.PLUMBAGINIFOLIA H+-translocating ATPase mRNA (EC 3.6.3.6) | protein | 31 | 48% helix, 0% strand | Q42932 |
Ligands and binding sites
- 0MT · 4-[(4R)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid · ligand · chains A, P
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 | 396 | 0.64 | 0.78 | 36 | 0MT |
| 2 | 110 | 0.40 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–P · 990 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4DX0 · Structure of the 14-3-3/PMA2 complex stabilized by a pyrazole derivative · the same entry in another collection · chain A against A, TM-score 1.00
- O49997 · AlphaFold monomer V2.0 prediction for 14-3-3-like protein E (O49997) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 O49997
- Every structure of UniProt Q42932
- Elsewhere: RCSB PDB 4DX0 · PDBe 4DX0 · UniProt O49997 · UniProt Q42932
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