MolNFT v1 · #112599 · protein
Crystal structure of giardia 14-3-3 in complex with the phosphopeptide A8AP
4ZQ0 · 14-3-3 protein: “Crystal structure of giardia 14-3-3 in complex with the phosphopeptide A8AP”. X-ray diffraction, 1 ligand (PO4), 10 pockets (best druggability 0.79). MolNFT v1 #112599 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4ZQ0
- Type
- protein
- Length
- 947 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein; A8AP phosphopeptide
- UniProt
- Q2QBT8
- Ligands
- PO4
- Pockets
- 10 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein | protein | 234 | 80% helix, 0% strand | Q2QBT8 |
| C, B | 14-3-3 protein | protein | 233 | 82% helix, 0% strand | Q2QBT8 |
| D | 14-3-3 protein | protein | 231 | 81% helix, 0% strand | Q2QBT8 |
| E, F, G, H | A8AP phosphopeptide | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · chains A, 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 951 | 0.79 | 0.81 | 79 | PO4 |
| 2 | 899 | 0.78 | 0.81 | 78 | empty |
| 3 | 354 | 0.62 | 0.78 | 48 | empty |
| 4 | 180 | 0.61 | 0.83 | 27 | empty |
| 5 | 183 | 0.61 | 0.83 | 25 | empty |
Interfaces
10 interfaces between chains.
- A–B · 1243 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1217 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 816 Ų buried · 8 hydrogen bonds · protein-protein
- D–H · 356 Ų buried · 11 hydrogen bonds · protein-protein
- B–F · 349 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 4ZQ0 · crystal structure of Giardia 14-3-3 in complex with the phosphopeptide A8Ap · 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 Q2QBT8
- Elsewhere: RCSB PDB 4ZQ0 · PDBe 4ZQ0 · UniProt Q2QBT8
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