Research workbench
Crystal structure of human 14-3-3 zeta in complex with cftr R-domain peptide PS753-PS768
Analyse Crystal structure of human 14-3-3 zeta in complex with cftr R-domain peptide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5D2D
- Type
- protein
- Length
- 474 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein ZETA/DELTA; Cystic fibrosis transmembrane conductance regulator
- EC
- 3.6.3.49
- UniProt
- P63104, P13569
- Ligands
- GLC, FRU, CL
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 3 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein ZETA/DELTA | protein | 229 | 83% helix, 0% strand | P63104 |
| B | 14-3-3 protein ZETA/DELTA | protein | 226 | 81% helix, 0% strand | P63104 |
| C | Cystic fibrosis transmembrane conductance regulator (EC 3.6.3.49) | protein | 19 | 0% helix, 0% strand | P13569 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- FRU · beta-D-fructofuranose · sugar · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.52 | 0.85 | 21 | empty |
| 2 | 288 | 0.51 | 0.74 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–B · 921 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 909 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 605 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5D2D · Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 · the same entry in another collection · chain A against A, TM-score 1.00
- P63104 · AlphaFold monomer V2.0 prediction for 14-3-3 protein ZETA/DELTA (P63104) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P13569 · AlphaFold monomer V2.0 prediction for cystic fibrosis transmembrane conductance regulator… · a predicted model of the same protein · chain C against A, TM-score 0.24
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 P63104
- Every structure of UniProt P13569
- Elsewhere: RCSB PDB 5D2D · PDBe 5D2D · UniProt P63104 · UniProt P13569
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