Research workbench
Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder
Analyse Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TCH
- Type
- protein
- Length
- 245 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.801
- Source
- Homo sapiens; SYNTHETIC CONSTRUCT
- Molecule
- 14-3-3 protein sigma; Dly-nva-ppn-kcj-sep-ppn-B3S-bal-ppn-lys
- UniProt
- P31947
- Ligands
- MG, CL
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · resolution 1.801 · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 14-3-3 protein sigma | protein | 236 | 80% helix, 0% strand | P31947 |
| A | Dly-nva-ppn-kcj-sep-ppn-B3S-bal-ppn-lys | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.37 | 0.80 | 12 | empty |
| 2 | 65 | 0.32 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- B–A · 830 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (nonstandard, phosphorylation).
Compared structures
- 6TCH · Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder · the same entry in another collection · chain B against B, 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 B against A, TM-score 0.95
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
- Elsewhere: RCSB PDB 6TCH · PDBe 6TCH · UniProt P31947
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